10,323 Works

19F nuclear magnetic resonance spectroscopy (19F NMR) ()

Fabian Hundemer
dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F NMR (376 MHz, CDCl3) δ = –85.0 (t, J = 10.5 Hz, CF), –117.9–(–118.0) (m, CF), –126.3, –126.5, –127.0, –130.5.

C28H31BrO4Si

Janina Beck
This dataset contains experimental data from a sample (InChI=1S/C28H31BrO4Si/c1-17-15-16-21-23(30)18-11-7-8-12-19(18)24(31)28(21,25(32)20-13-9-10-14-22(20)29)26(17)33-34(5,6)27(2,3)4/h7-15,21,26H,16H2,1-6H3/t21-,26+,28-/m0/s1). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) fast-atom bombardment mass spectrometry (FABMS) infrared absorption spectroscopy (IR)

infrared absorption spectroscopy (IR) (N,3,5-trimethoxy-N-methylbenzamide)

Florian Mohr & Stefan Bräse
dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3000, 2963, 2936, 2839, 2361, 2342, 1717, 1646, 1589, 1455, 1424, 1373, 1340, 1312, 1292, 1254, 1203, 1153, 1061, 1045, 990, 926, 846, 802, 748, 688, 626, 574, 540, 465, 428, 385 cm–1.

1H nuclear magnetic resonance spectroscopy (1H NMR) (1-[4-[tris(4-acetylphenyl)methyl]phenyl]ethanone)

Yannick Matt & Isabelle Wessely
dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 7.91–7.87 (m, 8H, CarH), 7.36–7.33 (m, 8H, CarH), 2.59 (s, 12H, CH3).

fast-atom bombardment mass spectrometry (FABMS) ()

Janina Beck
dataset for fast-atom bombardment mass spectrometry (FABMS) FAB(m/z, 3-NBA): 539/541 (13/11) [M+H]+, 281 (27), 207 (30), 185 (100). HRMS-FAB (m/z): [M]+ calcd for C28H3279BrO4Si,539.1253; found, 539.1252.

mass spectrometry (MS) (2,3,4,6-tetra(carbazol-9-yl)-5-(5-undecyl-1,3,4-oxadiazol-2-yl)benzonitrile)

Fabian Hundemer
dataset for mass spectrometry (MS) HRMS (FAB-MS, 3-NBA, C68H55N7O) Calcd 986.4546 [M+H]+; Found 986.4547 [M+H]+.

infrared absorption spectroscopy (IR) (6-methyl-2-(4-nitrophenyl)-1,3-benzothiazole)

Simone Gräßle
dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 1603, 1593, 1552, 1514, 1504, 1474, 1443, 1406, 1378, 1337, 1320, 1308, 1253, 1235, 1221, 1205, 1172, 1133, 1106, 1059, 1037, 1012, 971, 889, 848, 814, 750, 721, 685, 613, 561, 532, 517, 477, 432, 416 cm–1.

13C nuclear magnetic resonance spectroscopy (13C NMR) (1-[4-[tris(4-acetylphenyl)methyl]phenyl]ethanone)

Yannick Matt & Isabelle Wessely
dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 197.4 (4C, CO), 150.0 (4C, Cq), 135.4 (4C, Cq), 130.8 (8C, CarH), 128.1 (8C, CarH), 65.5 (1C, Cq), 26.6 (4C, CH3).

NMR/13C/CDCl3/75 (1-(8-(trifluoromethyl)benzo[d][1,2,3]triazin-3(4H)-yl)ethan-1-one)

Nicole Jung & Ana María García
This is a dataset.

1H nuclear magnetic resonance spectroscopy (1H NMR) (2,3,4,6-tetra(carbazol-9-yl)-5-(5-undecyl-1,3,4-oxadiazol-2-yl)benzonitrile)

Fabian Hundemer
dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d) δ 8.00 (d, J = 7.8 Hz, 2H), 7.61–7.55 (m, 2H), 7.52–7.46 (m, 2H), 7.46–7.37 (m, 2H), 7.33 (d, J = 8.1 Hz, 2H), 7.28–7.18 (m, 4H), 7.14–7.08 (m, 2H), 7.07–7.01 (m, 2H), 6.99–6.90 (m, 4H), 6.90–6.82 (m, 6H), 6.69 (t, J = 7.5, 7.5 Hz, 2H), 6.56 (t, J = 7.7, 7.7 Hz, 2H), 1.91–1.80 (m, 2H), 1.26–1.05 (m, 12H),...

mass spectrometry (MS) (6-methyl-2-(4-nitrophenyl)-1,3-benzothiazole)

Simone Gräßle
dataset for mass spectrometry (MS) EI (m/z, 70 eV, 110 °C): 270 (100), 231 (16), 224 (34), 209 (19), 181 (50), 169 (11), 131 (53), 119 (18), 100 (13), 69 (99). HRMS (C14H10O2N2S): Calcd 270.0458, Found 270.0456.

C27H37NO6

Yu-Chieh Huang
This dataset contains experimental data from a sample (InChI=1S/C27H37NO6/c1-7-24(29)28-22(27(31)33-6)15-21(25(28)18-9-11-19(32-5)12-10-18)26(30)34-23-14-17(4)8-13-20(23)16(2)3/h7,9-12,16-17,20-23,25H,1,8,13-15H2,2-6H3/t17-,20+,21+,22+,23-,25+/m1/s1). The datasets from the following experiments are available: IR

6-methyl-2-(4-nitrophenyl)-1,3-benzothiazole

Simone Gräßle
This dataset contains experimental data from a sample (6-methyl-2-(4-nitrophenyl)-1,3-benzothiazole, InChI=1S/C14H10N2O2S/c1-9-2-7-12-13(8-9)19-14(15-12)10-3-5-11(6-4-10)16(17)18/h2-8H,1H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) infrared absorption spectroscopy (IR) mass spectrometry (MS)

C15H14N2OS

Yu-Chieh Huang
This dataset contains experimental data from a sample (InChI=1S/C15H14N2OS/c1-12(18)19-11-13-7-9-15(10-8-13)17-16-14-5-3-2-4-6-14/h2-10H,11H2,1H3/b17-16+). The datasets from the following experiments are available: IR

DEPT/90 ((E)-1,2-bis(4-bromophenyl)diazene)

Katharina Peschko
This is a dataset.

1H nuclear magnetic resonance spectroscopy (1H NMR) (1-(4-phenylphenyl)ethanone)

Yannick Matt
dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 8.06–8.03 (m, 2H, CarH), 7.72–7.69 (m, 2H, CarH), 7.66–7.63 (m, 2H, CarH), 7.51–7.47 (m, 2H, CarH), 7.44–7.40 (m, 1H, CarH), 2.65 (s, 3H, CH3).

C27H37NO

Yu-Chieh Huang
This dataset contains experimental data from a sample (InChI=1S/C27H37NO/c1-2-3-4-5-6-9-12-28-19-24(23-10-7-8-11-25(23)28)26(29)27-16-20-13-21(17-27)15-22(14-20)18-27/h7-8,10-11,19-22H,2-6,9,12-18H2,1H3). The datasets from the following experiments are available: IR

Short-RInChIKey=SA-FUHFF-UHFFFADPSC-YREQDOIZJY-UHFFFADPSC-NUHFF-NUHFF-NUHFF-ZZZ

Janina Beck
Under argon atmosphere, a 1 M solution of ceric ammonium nitrate (1.43 g, 2.61 mmol, 3.70 equiv.) in water was rapidly added to a 0.1 M solution of N-(4-bromo-3-(1,4-dimethoxy-2-naphthoyl)phenyl)-2,2,2-trifluoroacetamide (340 mg, 710 µmol, 1.00 equiv.) in MeCN/CH2Cl2 (4:1) at -40 °C. The resulting reaction mixture was warmed to -20 °C over the course of 1 h and then poured into water. The aqueous phase was extracted with EtOAc and the combined organic phases were dried...

NMR/1H/CDCl3/400 (triphenylene-2,3,6,7,10,11-hexacarboxylic acid)

Isabelle Wessely
This is a dataset.

Short-RInChIKey=SA-FUHFF-UHFFFADPSC-QFUYDAGNUJ-UHFFFADPSC-NUHFF-NUHFF-NUHFF-ZZZ

Robin Bär
Tert-butyl nitrite (1.83 g, 2.11 mL, 18 mmol, 3.00 equiv) was added to a solution of para-toluenesulfonic acid monohydrate (3.37 g, 18 mmol, 3.00 equiv) in acetonitrile (25.0 mL), followed by 2-phenylaniline (1.00 g, 5.9 mmol, 1.00 equiv). After consumption of the starting material, potassium iodide (4.90 g, 30 mmol, 5.00 equiv), dissolved in 5 mL water, was added slowly and the mixture was stirred for 2 h at 21 °C. The product was extracted...

1-[4-(4-acetylphenyl)phenyl]ethanone

Yannick Matt
This dataset contains experimental data from a sample (1-[4-(4-acetylphenyl)phenyl]ethanone, InChI=1S/C16H14O2/c1-11(17)13-3-7-15(8-4-13)16-9-5-14(6-10-16)12(2)18/h3-10H,1-2H3). The datasets from the following experiments are available: mass spectrometry (MS) infrared absorption spectroscopy (IR) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR)

1H nuclear magnetic resonance spectroscopy (1H NMR) ()

Janina Beck
dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 8.19–8.12 (m, 2H, NH, CHAr), 8.11–8.07 (m, 1H, CHAr), 7.86 (dd, 3J = 8.7 Hz, 4J = 2.8 Hz, 1H, CHAr), 7.83–7.81 (m, 2H, CHAr), 7.78 (d, 4J = 2.8 Hz, 1H, CHAr), 7.63 (d, 3J = 8.7 Hz, 1H, CHAr), 7.27 (s, 1H, C=CH).Impurities: spectrum contains cyclohexane signal at 1.43 ppm, unknown signal at 1.25 ppm and...

IR (, InChI=1S/C18H20F3N3O/c1-5-6-7-11-24-15(22-16(25)17(2,3)4)12-9-8-10-13(14(12)23-24)18(19,20)21/h1,8-10H,6-7,11H2,2-4H3,(H,22,25))

Yu-Chieh Huang
dataset for IR IR (ATR, ṽ) = 3281, 2976, 2956, 2932, 2908, 2871, 2360, 2342, 1669, 1635, 1571, 1543, 1489, 1475, 1460, 1445, 1402, 1378, 1358, 1333, 1310, 1299, 1272, 1248, 1228, 1210, 1160, 1140, 1118, 1045, 1028, 1010, 973, 956, 941, 919, 875, 846, 810, 800, 766, 752, 694, 676, 654, 647, 632, 599, 585, 565, 506, 473, 385 cm–1.

IR (triphenylene-2,3,6,7,10,11-hexacarboxylic acid)

Isabelle Wessely
This is a dataset.

1-(4-phenylphenyl)ethanone

Yannick Matt
This dataset contains experimental data from a sample (1-(4-phenylphenyl)ethanone, InChI=1S/C14H12O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,1H3). The datasets from the following experiments are available: mass spectrometry (MS) infrared absorption spectroscopy (IR) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR)

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