5,988 Works

2-octadecoxy-2-oxoacetic acid

Yu-Chieh Huang
This dataset contains experimental data from a sample (2-octadecoxy-2-oxoacetic acid, InChI=1S/C20H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20(23)19(21)22/h2-18H2,1H3,(H,21,22)). The datasets from the following experiments are available: IR

C12H16O3

Yu-Chieh Huang
This dataset contains experimental data from a sample (InChI=1S/C12H16O3/c1-10(7-8-13)9-15-12-5-3-11(14-2)4-6-12/h3-7,13H,8-9H2,1-2H3/b10-7+). The datasets from the following experiments are available: IR

IR (, InChI=1S/C34H38N2/c1-21-15-23(3)33(24(4)16-21)35-31-19-27-7-11-29(31)13-9-28-8-12-30(14-10-27)32(20-28)36-34-25(5)17-22(2)18-26(34)6/h7-8,11-12,15-20,35-36H,9-10,13-14H2,1-6H3)

Yu-Chieh Huang
dataset for IR IR (ATR, ṽ) = 3417, 2995, 2935, 2918, 2850, 2360, 1727, 1652, 1591, 1562, 1504, 1473, 1459, 1441, 1417, 1371, 1322, 1312, 1285, 1252, 1225, 1181, 1150, 1111, 1086, 1034, 1009, 992, 976, 946, 922, 892, 870, 849, 836, 822, 772, 722, 710, 680, 656, 616, 568, 530, 479, 433, 388 cm–1.

C22H17IN2O4

Jérôme Wagner, Patrick Hodapp & Sylvain Grosjean
This dataset contains experimental data from a sample (InChI=1S/C22H17IN2O4/c1-28-21(26)15-9-7-14(8-10-15)17-12-11-16(22(27)29-2)13-20(17)25-24-19-6-4-3-5-18(19)23/h3-13H,1-2H3/b25-24+). The datasets from the following experiments are available: 1H NMR 13C NMR Mass Mass IR

IR (, InChI=1S/C31H31N3O2/c1-3-36-31(35)30-17-21(25-18-32-27-10-6-4-8-23(25)27)16-29(34(30)22-14-12-20(2)13-15-22)26-19-33-28-11-7-5-9-24(26)28/h4-15,18-19,21,29-30,32-33H,3,16-17H2,1-2H3/t21-,29-,30-/m1/s1)

Yu-Chieh Huang
dataset for IR IR (ATR, ṽ) = 3395, 3347, 2921, 2851, 2361, 2340, 1708, 1618, 1510, 1452, 1419, 1367, 1356, 1340, 1295, 1273, 1242, 1218, 1207, 1188, 1180, 1157, 1115, 1095, 1040, 1018, 1007, 953, 933, 849, 816, 810, 778, 764, 741, 718, 669, 650, 618, 592, 562, 516, 467, 424, 384 cm–1.

Mass (2-azido-3-phenylquinoxaline, InChI=1S/C14H9N5/c15-19-18-14-13(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)17-14/h1-9H)

Simone Gräßle & Jérôme Klein
dataset for Mass EI (m/z, 70 eV, 20 °C): 247 (12) [M]+, 221 (26), 220 (48), 219 (100), 218 (19), 91 (12).HRMS (C14H9N5): Calcd 247.0858 found 247.0857

1H NMR (, InChI=1S/C26H18N2O4/c29-25(30)19-10-6-17(7-11-19)21-14-15-23(18-8-12-20(13-9-18)26(31)32)24(16-21)28-27-22-4-2-1-3-5-22/h1-16H,(H,29,30)(H,31,32)/b28-27+)

Sylvain Grosjean, Sylvain Grosjean & Patrick Hodapp
dataset for 1H NMR 1H NMR (500 MHz, DMSO-d6, ppm) δ = 13.04 (bs, 2H, CO2H), 8.09–8.02 (m, 6H, CH), 7.93–7.92 (m, 2H, CH), 7.83–7.78 (m, 3H, CH), 7.66–7.64 (m, 2H, CH), 7.59–7.57 (m, 3H, CH). This spectrum shows additional signals corresponding to the cis isomer, due to isomerization under the conditions of the measurement.

C17H17BrO7

Yu-Chieh Huang
This dataset contains experimental data from a sample (InChI=1S/C17H17BrO7/c1-8-6-10(22-2)13-9(19)7-17(16(21)23-3,25-15(13)14(8)18)11-4-5-12(20)24-11/h6,11H,4-5,7H2,1-3H3). The datasets from the following experiments are available: IR

IR (, InChI=1S/C26H23F3N2O/c1-3-5-8-15-21(25(32)19-13-9-7-10-14-19)23-20-16-12-17-22(26(27,28)29)24(20)31(30-23)18-11-6-4-2/h1-2,7,9-10,12-14,16-17,21H,5-6,8,11,15,18H2)

Yu-Chieh Huang
dataset for IR IR (ATR, ṽ) = 3291, 3271, 3244, 3077, 2956, 2944, 2361, 2342, 1645, 1619, 1601, 1584, 1506, 1470, 1446, 1428, 1418, 1392, 1383, 1364, 1344, 1305, 1288, 1266, 1228, 1205, 1184, 1164, 1150, 1122, 1111, 1095, 1061, 1043, 1026, 1014, 1000, 987, 939, 928, 897, 864, 846, 815, 793, 782, 756, 727, 717, 698, 677, 652, 640, 626, 602, 585, 575, 560, 541, 530, 507, 497, 459, 425, 402, 384 cm–1.

3-benzyl-6-hydroxy-5,7,8-trimethylchromen-2-one

Yu-Chieh Huang
This dataset contains experimental data from a sample (3-benzyl-6-hydroxy-5,7,8-trimethylchromen-2-one, InChI=1S/C19H18O3/c1-11-12(2)18-16(13(3)17(11)20)10-15(19(21)22-18)9-14-7-5-4-6-8-14/h4-8,10,20H,9H2,1-3H3). The datasets from the following experiments are available: IR

1,4-dibromo-2-nitrosobenzene

Sylvain Grosjean, Sylvain Grosjean & Patrick Hodapp
This dataset contains experimental data from a sample (1,4-dibromo-2-nitrosobenzene, InChI=1S/C6H3Br2NO/c7-4-1-2-5(8)6(3-4)9-10/h1-3H). The datasets from the following experiments are available: 1H NMR 13C NMR Mass IR EA Others

IR (, InChI=1S/C18H14F3NO/c1-12(23)16-11-22(17-5-3-2-4-15(16)17)10-13-6-8-14(9-7-13)18(19,20)21/h2-9,11H,10H2,1H3)

Yu-Chieh Huang
dataset for IR IR (ATR, ṽ) = 3101, 3074, 3057, 3031, 2958, 2921, 2854, 2361, 2340, 1626, 1615, 1577, 1527, 1483, 1466, 1438, 1421, 1388, 1340, 1322, 1242, 1188, 1163, 1108, 1091, 1065, 1016, 969, 949, 931, 874, 867, 839, 823, 781, 769, 748, 737, 724, 667, 633, 598, 575, 562, 541, 494, 428, 407, 390 cm–1.

C26H24OS2

Simone Gräßle
This dataset contains experimental data from a sample (, InChI=1S/C26H24OS2/c27-24(21-13-6-2-7-14-21)19-23(20-11-4-1-5-12-20)25(22-15-8-3-9-16-22)26-28-17-10-18-29-26/h1-9,11-16,23H,10,17-19H2). The datasets from the following experiments are included: 1H NMR 13C NMR Mass IR

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