6,173 Works

C20H23N3O

Yu-Chieh Huang
This dataset contains experimental data from a sample (InChI=1S/C20H23N3O/c1-2-3-9-14-23-18-13-8-7-12-17(18)20(22-23)21-19(24)15-16-10-5-4-6-11-16/h4-8,10-13H,2-3,9,14-15H2,1H3,(H,21,22,24)). The datasets from the following experiments are available: IR

IR ((NZ,S)-N-[(E)-1,3-diphenylprop-2-enylidene]-2-methylpropane-2-sulfinamide, InChI=1S/C19H21NOS/c1-19(2,3)22(21)20-18(17-12-8-5-9-13-17)15-14-16-10-6-4-7-11-16/h4-15H,1-3H3/b15-14+,20-18-/t22-/m0/s1)

Yu-Chieh Huang
dataset for IR IR (ATR, ṽ) = 3384, 3070, 3060, 3020, 2997, 2978, 2956, 2921, 2904, 2863, 1608, 1575, 1537, 1490, 1473, 1445, 1387, 1360, 1336, 1306, 1262, 1231, 1205, 1173, 1153, 1091, 1064, 1026, 1000, 984, 976, 941, 918, 864, 854, 839, 789, 775, 754, 707, 693, 686, 657, 646, 615, 594, 577, 533, 504, 483, 446, 416, 402, 382 cm–1.

1H nuclear magnetic resonance spectroscopy (1H NMR) (4-bromo-N-propan-2-ylbenzamide)

Laura Köring & Jan Paradies
dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, 303 K, CDCl3, ppm) δ = 7.62 – 7.59 (m, 2H, HAr), 7.54 – 7.53 (m, 2H, HAr), 6.02 (br, 1H, NH), 4.25 (dsept, 3JHH = 7.8 Hz, 3JHH = 6.6 Hz, 1H, NCHMe2), 1.24 (d, 3JHH = 6.6 Hz, 6H, NCHMe2).

mass spectrometry (MS) (4-bromo-N-propan-2-ylbenzamide)

Laura Köring & Jan Paradies
dataset for mass spectrometry (MS) MS (EI) m/z (%): 243.0/242.0/241.0 (100/13/31) [M]+, 240.0 (11) [M-H]+, 236.0 (11). HRMS (ESI) exact mass for [MH]+ (C10H13NOBr): calc m/z 242.0181, found 242.0199.

13C nuclear magnetic resonance spectroscopy (13C NMR) (4-bromo-N-propan-2-ylbenzamide)

Laura Köring & Jan Paradies
dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, 303 K, CDCl3, ppm) δ = 165.8 (Cq), 134.0 (2C, CH), 131.8 (2C, CH), 128.6 (Cq), 126.0 (Cq), 42.2 (CH), 22.9 (2C, CH3).

4-bromo-N-propan-2-ylbenzamide

Laura Köring & Jan Paradies
This dataset contains experimental data from a sample (4-bromo-N-propan-2-ylbenzamide, InChI=1S/C10H12BrNO/c1-7(2)12-10(13)8-3-5-9(11)6-4-8/h3-7H,1-2H3,(H,12,13)). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS)

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

Laura Köring & Jan Paradies
Isopropylamine (0.94 mL, 11.0 mmol, 1.10 equiv.) and triethylamine (1.74 mL, 12.5 mmol, 1.25 equiv.) were dissolved in methylene chloride (12 mL, 0.83 M). The solution was cooled in an ice bath and 4‑bromobenzoyl chloride (1.43 mL, 10.0 mmol, 1.00 equiv.) was added dropwise via syringe under vigorous stirring. The resulting mixture was warmed to room temperature and was stirred for 30 minutes. The reaction mixture was diluted with methylene chloride and washed with aqueous...

[(3R,4S,6R)-3,4,5-tribenzoyloxy-6-bromooxan-2-yl]methyl benzoate

Vanessa Koch & Stefan Bräse
This dataset contains experimental data from a sample ([(3R,4S,6R)-3,4,5-tribenzoyloxy-6-bromooxan-2-yl]methyl benzoate, InChI=1S/C34H27BrO9/c35-30-29(44-34(39)25-19-11-4-12-20-25)28(43-33(38)24-17-9-3-10-18-24)27(42-32(37)23-15-7-2-8-16-23)26(41-30)21-40-31(36)22-13-5-1-6-14-22/h1-20,26-30H,21H2/t26?,27-,28+,29?,30+/m1/s1). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)

IR (, InChI=1S/C23H29NO/c1-2-3-8-24-15-20(19-6-4-5-7-21(19)24)22(25)23-12-16-9-17(13-23)11-18(10-16)14-23/h4-7,15-18H,2-3,8-14H2,1H3)

Yu-Chieh Huang
dataset for IR IR (ATR, ṽ) = 3128, 3108, 2959, 2922, 2894, 2856, 2847, 2361, 2342, 1609, 1574, 1524, 1480, 1463, 1452, 1395, 1371, 1346, 1313, 1288, 1268, 1249, 1228, 1203, 1174, 1149, 1133, 1113, 1102, 1047, 1040, 1014, 1006, 973, 932, 905, 890, 867, 843, 823, 798, 768, 754, 739, 673, 640, 625, 599, 582, 486, 425, 385, 375 cm–1.

infrared absorption spectroscopy (IR) ([(2R,3R,5S,8R,9S,10R,13S,14S,17S)-2,3,17-triacetyloxy-13-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-10-yl]methyl acetate)

Vanessa Koch & Stefan Bräse
dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2948, 2927, 2915, 2873, 2847, 2364, 1734, 1468, 1452, 1435, 1367, 1235, 1222, 1149, 1069, 1044, 1031, 993, 983, 973, 956, 916, 897, 881, 850, 823, 688, 670, 647, 609, 575, 562, 547, 516, 470, 422, 385 cm–1.

tert-butyl-(3,5-dimethoxyphenoxy)-dimethylsilane

Florian Mohr & Stefan Bräse
This dataset contains experimental data from a sample (tert-butyl-(3,5-dimethoxyphenoxy)-dimethylsilane, InChI=1S/C14H24O3Si/c1-14(2,3)18(6,7)17-13-9-11(15-4)8-12(10-13)16-5/h8-10H,1-7H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)

C16H10N2

Claudine Herlan
This dataset contains experimental data from a sample (InChI=1S/C16H10N2/c1-3-13-5-9-15(10-6-13)17-18-16-11-7-14(4-2)8-12-16/h1-2,5-12H/b18-17+). The datasets from the following experiments are available: 1H NMR Mass IR

13C NMR (, InChI=1S/C20H13IN2O4/c21-16-3-1-2-4-17(16)22-23-18-11-14(20(26)27)9-10-15(18)12-5-7-13(8-6-12)19(24)25/h1-11H,(H,24,25)(H,26,27)/b23-22+)

Jérôme Wagner, Patrick Hodapp & Sylvain Grosjean
dataset for 13C NMR 13C NMR (100 MHz, DMSO-d6, ppm) δ = 103.1 (Cquart.), 117.2 (CHAr), 117.4 (CHAr), 128.8 (2C, CHAr), 129.4 (CHAr), 130.3 (Cquart.), 131.0 (2C, CHAr), 131.5 (Cquart.), 131.6 (CHAr), 132.0 (CHAr), 133.3 (Cquart.), 139.9 (Cquart.), 141.5 (Cquart.), 143.8 (Cquart.), 148.4 (Cquart.), 151.0 (Cquart.), 166.5 (Cquart., COOH), 167.1 (Cquart., COOH).

1-octylindole

Simone Gräßle
This dataset contains experimental data from a sample (1-octylindole, InChI=1S/C16H23N/c1-2-3-4-5-6-9-13-17-14-12-15-10-7-8-11-16(15)17/h7-8,10-12,14H,2-6,9,13H2,1H3). The datasets from the following experiments are available: 13C NMR 1H NMR IR Mass

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