cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/qyrvelwehdqman-uhfffaoysa-n.1
title: 3,11-dioxa-7-azadispiro[5.1.5^{8}.3^{6}]hexadecan-15-one
title: InChI=1S/C13H21NO3/c15-11-9-12(1-5-16-6-2-12)14-13(10-11)3-7-17-8-4-13/h14H,1-10H2

description: This dataset contains experimental data from a sample (3,11-dioxa-7-azadispiro[5.1.58.36]hexadecan-15-one, InChI=1S/C13H21NO3/c15-11-9-12(1-5-16-6-2-12)14-13(10-11)3-7-17-8-4-13/h14H,1-10H2). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/qyrvelwehdqman-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (3,11-dioxa-7-azadispiro[5.1.58.36]hexadecan-15-one)
title: InChI=1S/C13H21NO3/c15-11-9-12(1-5-16-6-2-12)14-13(10-11)3-7-17-8-4-13/h14H,1-10H2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3326, 2966, 2949, 2925, 2898, 2860, 1711, 1691, 1513, 1468, 1453, 1432, 1392, 1360, 1317, 1299, 1276, 1238, 1196, 1180, 1164, 1153, 1103, 1086, 1031, 1016, 975, 956, 925, 854, 841, 790, 738, 643, 584, 531, 517, 483, 463, 418 cm–1.
DOI: 10.14272/rmdjfimgjgntaq-uhfffaoysa-n.1
title: C34H26N2
title: InChI=1S/C34H26N2/c1-3-7-31-27(5-1)28-6-2-4-8-32(28)36(31)26-19-20-30-29(21-26)33-24-15-13-22-9-11-23(12-10-22)14-16-25(18-17-24)34(33)35-30/h1-12,17-21,35H,13-16H2

description: This dataset contains experimental data from a sample (InChI=1S/C34H26N2/c1-3-7-31-27(5-1)28-6-2-4-8-32(28)36(31)26-19-20-30-29(21-26)33-24-15-13-22-9-11-23(12-10-22)14-16-25(18-17-24)34(33)35-30/h1-12,17-21,35H,13-16H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/rmdjfimgjgntaq-uhfffaoysa-n/ir
title: IR (, InChI=1S/C34H26N2/c1-3-7-31-27(5-1)28-6-2-4-8-32(28)36(31)26-19-20-30-29(21-26)33-24-15-13-22-9-11-23(12-10-22)14-16-25(18-17-24)34(33)35-30/h1-12,17-21,35H,13-16H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 3412, 2919, 2894, 2850, 1623, 1594, 1574, 1507, 1493, 1473, 1449, 1388, 1336, 1315, 1302, 1259, 1231, 1169, 1145, 1125, 1067, 1021, 992, 973, 931, 918, 871, 806, 748, 722, 650, 639, 605, 584, 568, 541, 520, 492, 452, 439, 422, 416, 392, 377 cm–1.
DOI: 10.14272/xqjcedhxmksopy-uhfffaoysa-n.1
title: C34H30N2
title: InChI=1S/C34H30N2/c1-3-7-31(8-4-1)36(32-9-5-2-6-10-32)33-23-21-30(22-24-33)35-34-25-28-16-15-26-11-13-27(14-12-26)17-19-29(34)20-18-28/h1-14,18,20-25,35H,15-17,19H2

description: This dataset contains experimental data from a sample (InChI=1S/C34H30N2/c1-3-7-31(8-4-1)36(32-9-5-2-6-10-32)33-23-21-30(22-24-33)35-34-25-28-16-15-26-11-13-27(14-12-26)17-19-29(34)20-18-28/h1-14,18,20-25,35H,15-17,19H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/xqjcedhxmksopy-uhfffaoysa-n/ir
title: IR (, InChI=1S/C34H30N2/c1-3-7-31(8-4-1)36(32-9-5-2-6-10-32)33-23-21-30(22-24-33)35-34-25-28-16-15-26-11-13-27(14-12-26)17-19-29(34)20-18-28/h1-14,18,20-25,35H,15-17,19H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 3361, 3033, 3019, 2945, 2921, 2887, 2849, 1585, 1503, 1486, 1479, 1415, 1322, 1309, 1268, 1227, 1176, 1152, 1109, 1075, 1028, 894, 881, 830, 798, 751, 718, 693, 654, 618, 516, 504, 465, 414 cm–1.
DOI: 10.14272/crcsgmojeryspa-gulpdurksa-n.1
title: C30H28IN3O2
title: InChI=1S/C30H28IN3O2/c1-2-36-30(35)29-16-19(24-17-32-26-9-5-3-7-22(24)26)15-28(34(29)21-13-11-20(31)12-14-21)25-18-33-27-10-6-4-8-23(25)27/h3-14,17-19,28-29,32-33H,2,15-16H2,1H3/t19-,28-,29-/m0/s1

description: This dataset contains experimental data from a sample (InChI=1S/C30H28IN3O2/c1-2-36-30(35)29-16-19(24-17-32-26-9-5-3-7-22(24)26)15-28(34(29)21-13-11-20(31)12-14-21)25-18-33-27-10-6-4-8-23(25)27/h3-14,17-19,28-29,32-33H,2,15-16H2,1H3/t19-,28-,29-/m0/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/crcsgmojeryspa-gulpdurksa-n/ir
title: IR (, InChI=1S/C30H28IN3O2/c1-2-36-30(35)29-16-19(24-17-32-26-9-5-3-7-22(24)26)15-28(34(29)21-13-11-20(31)12-14-21)25-18-33-27-10-6-4-8-23(25)27/h3-14,17-19,28-29,32-33H,2,15-16H2,1H3/t19-,28-,29-/m0/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 3398, 3360, 3057, 2978, 2919, 2851, 2533, 1711, 1618, 1582, 1483, 1453, 1419, 1368, 1356, 1339, 1293, 1275, 1241, 1217, 1208, 1187, 1115, 1095, 1040, 1018, 1001, 950, 932, 861, 847, 823, 806, 778, 764, 741, 710, 656, 643, 611, 589, 560, 513, 501, 460, 422, 405, 378 cm–1.
DOI: 10.14272/suxfyyfryjtfsk-ropmgspzsa-n.1
title: C15H16O
title: InChI=1S/C15H16O/c16-15(14-11-7-4-8-12-14)13-9-5-2-1-3-6-10-13/h1-2,4,7-8,10-12H,3,5-6,9H2/b2-1-,13-10+

description: This dataset contains experimental data from a sample (InChI=1S/C15H16O/c16-15(14-11-7-4-8-12-14)13-9-5-2-1-3-6-10-13/h1-2,4,7-8,10-12H,3,5-6,9H2/b2-1-,13-10+).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/zboyzyygcxgday-uhfffaoysa-n.1
title: C15H18O2
title: InChI=1S/C15H18O2/c1-4-5-6-12-9-13-10(2)7-8-11(3)14(13)17-15(12)16/h7-9H,4-6H2,1-3H3

description: This dataset contains experimental data from a sample (3-butyl-5,8-dimethylchromen-2-one, InChI=1S/C15H18O2/c1-4-5-6-12-9-13-10(2)7-8-11(3)14(13)17-15(12)16/h7-9H,4-6H2,1-3H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/zboyzyygcxgday-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (3-butyl-5,8-dimethylchromen-2-one)
title: InChI=1S/C15H18O2/c1-4-5-6-12-9-13-10(2)7-8-11(3)14(13)17-15(12)16/h7-9H,4-6H2,1-3H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2952, 2928, 2898, 2868, 2825, 2361, 2340, 1713, 1599, 1487, 1463, 1455, 1432, 1419, 1383, 1373, 1272, 1248, 1170, 1111, 1075, 1052, 1034, 996, 943, 899, 843, 823, 800, 764, 742, 714, 667, 618, 578, 538, 479, 455, 439, 424, 387 cm–1.
DOI: 10.14272/zcjzvmnbjkpqev-uhfffaoysa-n.1
title: 4-[3,5-bis(4-formylphenyl)phenyl]benzaldehyde
title: InChI=1S/C27H18O3/c28-16-19-1-7-22(8-2-19)25-13-26(23-9-3-20(17-29)4-10-23)15-27(14-25)24-11-5-21(18-30)6-12-24/h1-18H

description: This dataset contains experimental data from a sample (4-[3,5-bis(4-formylphenyl)phenyl]benzaldehyde, InChI=1S/C27H18O3/c28-16-19-1-7-22(8-2-19)25-13-26(23-9-3-20(17-29)4-10-23)15-27(14-25)24-11-5-21(18-30)6-12-24/h1-18H).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/zcjzvmnbjkpqev-uhfffaoysa-n/ir
title: IR (4-[3,5-bis(4-formylphenyl)phenyl]benzaldehyde, InChI=1S/C27H18O3/c28-16-19-1-7-22(8-2-19)25-13-26(23-9-3-20(17-29)4-10-23)15-27(14-25)24-11-5-21(18-30)6-12-24/h1-18H)

description: dataset for IR
      
      IR (ATR, ṽ) = 2799, 2715, 1735, 1683, 1599, 1567, 1445, 1383, 1307, 1238, 1211, 1169, 1111, 1043, 1001, 854, 813, 790, 697, 652, 628, 602, 567, 514, 492, 477, 416, 405, 388, 375 cm–1.
DOI: 10.14272/qkzwrmuobffkpj-sceojtaysa-n.1
title: C31H31N3O2
title: 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

description: This dataset contains experimental data from a sample (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).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/qkzwrmuobffkpj-sceojtaysa-n/ir
title: 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)

description: 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.
DOI: 10.14272/suguwrkdyhjwhd-uhfffaoysa-n.1
title: C17H17NO
title: InChI=1S/C17H17NO/c18-17(19)16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9H2,(H2,18,19)

description: This dataset contains experimental data from a sample (InChI=1S/C17H17NO/c18-17(19)16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9H2,(H2,18,19)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/suguwrkdyhjwhd-uhfffaoysa-n/ir
title: IR (, InChI=1S/C17H17NO/c18-17(19)16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9H2,(H2,18,19))

description: dataset for IR
      
      IR (ATR, ṽ) = 3412, 3200, 3187, 2922, 2850, 2361, 2342, 1681, 1629, 1608, 1553, 1446, 1407, 1378, 1279, 1205, 1159, 1132, 1108, 1094, 1074, 939, 931, 902, 881, 861, 796, 783, 761, 731, 714, 697, 680, 669, 647, 618, 565, 516, 500, 455, 411, 384 cm–1.
DOI: 10.14272/suxfyyfryjtfsk-ropmgspzsa-n/ir
title: IR (, InChI=1S/C15H16O/c16-15(14-11-7-4-8-12-14)13-9-5-2-1-3-6-10-13/h1-2,4,7-8,10-12H,3,5-6,9H2/b2-1-,13-10+)

description: dataset for IR
      
      IR (ATR, ṽ) = 3404, 3063, 2946, 2938, 2361, 2343, 1710, 1677, 1649, 1596, 1579, 1448, 1316, 1266, 1228, 1176, 1069, 1024, 1001, 700, 669, 649, 405, 387 cm–1.
DOI: 10.14272/uokjhbloqcocru-uhfffaoysa-n.2
title: C24H23NO2
title: InChI=1S/C24H23NO2/c1-27-22-14-12-21(13-15-22)25-24(26)23-16-19-7-6-17-2-4-18(5-3-17)8-10-20(23)11-9-19/h2-5,9,11-16H,6-8,10H2,1H3,(H,25,26)

description: This dataset contains experimental data from a sample (InChI=1S/C24H23NO2/c1-27-22-14-12-21(13-15-22)25-24(26)23-16-19-7-6-17-2-4-18(5-3-17)8-10-20(23)11-9-19/h2-5,9,11-16H,6-8,10H2,1H3,(H,25,26)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/uokjhbloqcocru-uhfffaoysa-n/ir.1
title: IR (, InChI=1S/C24H23NO2/c1-27-22-14-12-21(13-15-22)25-24(26)23-16-19-7-6-17-2-4-18(5-3-17)8-10-20(23)11-9-19/h2-5,9,11-16H,6-8,10H2,1H3,(H,25,26))

description: dataset for IR
      
      IR (ATR, ṽ) = 3261, 3234, 2952, 2928, 2893, 2851, 2834, 2361, 2342, 1645, 1598, 1506, 1462, 1439, 1409, 1324, 1313, 1299, 1275, 1234, 1225, 1174, 1128, 1108, 1079, 1028, 955, 942, 902, 880, 863, 830, 812, 724, 718, 674, 640, 591, 552, 527, 511, 499, 449, 421, 384 cm–1.
DOI: 10.14272/xeanqxsenvqdib-uhfffaoysa-n.1
title: C81H78N4O4
title: InChI=1S/C81H78N4O4/c1-73(2)65-45-33-57(49-69(65)77(9,10)82(73)86)21-17-53-25-37-61(38-26-53)81(62-39-27-54(28-40-62)18-22-58-34-46-66-70(50-58)78(11,12)83(87)74(66,3)4,63-41-29-55(30-42-63)19-23-59-35-47-67-71(51-59)79(13,14)84(88)75(67,5)6)64-43-31-56(32-44-64)20-24-60-36-48-68-72(52-60)80(15,16)85(89)76(68,7)8/h25-43,45-52,64H,44H2,1-16H3

description: This dataset contains experimental data from a sample (2-lambda1-oxidanyl-1,1,3,3-tetramethyl-5-[2-[4-[tris[4-[2-(2-lambda1-oxidanyl-1,1,3,3-tetramethylisoindol-5-yl)ethynyl]phenyl]methyl]cyclohexa-1,5-dien-1-yl]ethynyl]isoindole, InChI=1S/C81H78N4O4/c1-73(2)65-45-33-57(49-69(65)77(9,10)82(73)86)21-17-53-25-37-61(38-26-53)81(62-39-27-54(28-40-62)18-22-58-34-46-66-70(50-58)78(11,12)83(87)74(66,3)4,63-41-29-55(30-42-63)19-23-59-35-47-67-71(51-59)79(13,14)84(88)75(67,5)6)64-43-31-56(32-44-64)20-24-60-36-48-68-72(52-60)80(15,16)85(89)76(68,7)8/h25-43,45-52,64H,44H2,1-16H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/xeanqxsenvqdib-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (2-lambda1-oxidanyl-1,1,3,3-tetramethyl-5-[2-[4-[tris[4-[2-(2-lambda1-oxidanyl-1,1,3,3-tetramethylisoindol-5-yl)ethynyl]phenyl]methyl]cyclohexa-1,5-dien-1-yl]ethynyl]isoindole)
title: InChI=1S/C81H78N4O4/c1-73(2)65-45-33-57(49-69(65)77(9,10)82(73)86)21-17-53-25-37-61(38-26-53)81(62-39-27-54(28-40-62)18-22-58-34-46-66-70(50-58)78(11,12)83(87)74(66,3)4,63-41-29-55(30-42-63)19-23-59-35-47-67-71(51-59)79(13,14)84(88)75(67,5)6)64-43-31-56(32-44-64)20-24-60-36-48-68-72(52-60)80(15,16)85(89)76(68,7)8/h25-43,45-52,64H,44H2,1-16H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2973, 2932, 2361, 2342, 1503, 1468, 1434, 1358, 1322, 1309, 1281, 1164, 1120, 1018, 924, 888, 826, 769, 667, 656, 571, 548, 472 cm–1.
DOI: 10.14272/lksalffwpdipjv-uhfffaoysa-n/ir
title: IR (, InChI=1S/C20H22N2O/c1-2-3-13-22-15-16(18-11-7-8-12-19(18)22)14-20(23)21-17-9-5-4-6-10-17/h4-12,15H,2-3,13-14H2,1H3,(H,21,23))

description: dataset for IR
      
      IR (ATR, ṽ) = 3292, 3057, 3044, 2955, 2928, 2912, 2868, 2360, 1659, 1616, 1596, 1555, 1523, 1497, 1482, 1468, 1439, 1412, 1395, 1373, 1347, 1333, 1310, 1293, 1252, 1208, 1191, 1171, 1147, 1137, 1112, 1086, 1078, 1030, 1011, 963, 904, 851, 833, 789, 772, 755, 728, 688, 618, 599, 579, 565, 537, 524, 516, 497, 425 cm–1.
DOI: 10.14272/nzobkjxhritajf-uhfffaoysa-n.1
title: C17H22O2
title: InChI=1S/C17H22O2/c1-4-5-6-7-8-14-11-15-12(2)9-10-13(3)16(15)19-17(14)18/h9-11H,4-8H2,1-3H3

description: This dataset contains experimental data from a sample (3-hexyl-5,8-dimethylchromen-2-one, InChI=1S/C17H22O2/c1-4-5-6-7-8-14-11-15-12(2)9-10-13(3)16(15)19-17(14)18/h9-11H,4-8H2,1-3H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/nzobkjxhritajf-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (3-hexyl-5,8-dimethylchromen-2-one)
title: InChI=1S/C17H22O2/c1-4-5-6-7-8-14-11-15-12(2)9-10-13(3)16(15)19-17(14)18/h9-11H,4-8H2,1-3H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2953, 2921, 2857, 2849, 1718, 1598, 1489, 1453, 1425, 1377, 1271, 1255, 1225, 1171, 1118, 1079, 1060, 1037, 1013, 990, 919, 878, 826, 798, 765, 731, 717, 687, 673, 616, 579, 540, 479, 466, 401 cm–1.
DOI: 10.14272/omhgnvwhhanwnn-uhfffaoysa-n.1
title: C69H104N4O4
title: InChI=1S/C69H104N4O4/c1-49(74-70-61(5,6)41-21-42-62(70,7)8)53-25-33-57(34-26-53)69(58-35-27-54(28-36-58)50(2)75-71-63(9,10)43-22-44-64(71,11)12,59-37-29-55(30-38-59)51(3)76-72-65(13,14)45-23-46-66(72,15)16)60-39-31-56(32-40-60)52(4)77-73-67(17,18)47-24-48-68(73,19)20/h25-40,49-52H,21-24,41-48H2,1-20H3

description: This dataset contains experimental data from a sample (2,2,6,6-tetramethyl-1-[1-[4-[tris[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methyl]phenyl]ethoxy]piperidine, InChI=1S/C69H104N4O4/c1-49(74-70-61(5,6)41-21-42-62(70,7)8)53-25-33-57(34-26-53)69(58-35-27-54(28-36-58)50(2)75-71-63(9,10)43-22-44-64(71,11)12,59-37-29-55(30-38-59)51(3)76-72-65(13,14)45-23-46-66(72,15)16)60-39-31-56(32-40-60)52(4)77-73-67(17,18)47-24-48-68(73,19)20/h25-40,49-52H,21-24,41-48H2,1-20H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/omhgnvwhhanwnn-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (2,2,6,6-tetramethyl-1-[1-[4-[tris[4-[1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl]phenyl]methyl]phenyl]ethoxy]piperidine)
title: InChI=1S/C69H104N4O4/c1-49(74-70-61(5,6)41-21-42-62(70,7)8)53-25-33-57(34-26-53)69(58-35-27-54(28-36-58)50(2)75-71-63(9,10)43-22-44-64(71,11)12,59-37-29-55(30-38-59)51(3)76-72-65(13,14)45-23-46-66(72,15)16)60-39-31-56(32-40-60)52(4)77-73-67(17,18)47-24-48-68(73,19)20/h25-40,49-52H,21-24,41-48H2,1-20H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3493, 2972, 2928, 2871, 2361, 2342, 1503, 1462, 1453, 1375, 1360, 1302, 1258, 1242, 1210, 1132, 1061, 1045, 1018, 989, 956, 935, 881, 824, 792, 779, 737, 708, 669, 560, 500, 462, 445, 421, 405, 385 cm–1.
DOI: 10.14272/twazwfiyxygqnf-uhfffaoysa-n.1
title: C27H25FN2O3
title: InChI=1S/C27H25FN2O3/c1-33-27(32)24(15-19-7-3-2-4-8-19)29-26(31)16-21-18-30(25-10-6-5-9-23(21)25)17-20-11-13-22(28)14-12-20/h2-14,18,24H,15-17H2,1H3,(H,29,31)

description: This dataset contains experimental data from a sample (InChI=1S/C27H25FN2O3/c1-33-27(32)24(15-19-7-3-2-4-8-19)29-26(31)16-21-18-30(25-10-6-5-9-23(21)25)17-20-11-13-22(28)14-12-20/h2-14,18,24H,15-17H2,1H3,(H,29,31)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/twazwfiyxygqnf-uhfffaoysa-n/ir
title: IR (, InChI=1S/C27H25FN2O3/c1-33-27(32)24(15-19-7-3-2-4-8-19)29-26(31)16-21-18-30(25-10-6-5-9-23(21)25)17-20-11-13-22(28)14-12-20/h2-14,18,24H,15-17H2,1H3,(H,29,31))

description: dataset for IR
      
      IR (ATR, ṽ) = 3319, 3029, 2948, 2932, 2917, 2356, 2332, 1751, 1650, 1606, 1555, 1509, 1482, 1466, 1441, 1418, 1392, 1374, 1361, 1334, 1296, 1275, 1262, 1215, 1190, 1176, 1156, 1147, 1120, 1094, 1043, 1013, 993, 967, 925, 847, 839, 824, 805, 782, 754, 744, 731, 698, 684, 670, 657, 620, 599, 574, 558, 535, 514, 486, 426, 398 cm–1.
DOI: 10.14272/uokjhbloqcocru-uhfffaoysa-n.1
title: C24H23NO2
title: InChI=1S/C24H23NO2/c1-27-22-14-12-21(13-15-22)25-24(26)23-16-19-7-6-17-2-4-18(5-3-17)8-10-20(23)11-9-19/h2-5,9,11-16H,6-8,10H2,1H3,(H,25,26)

description: This dataset contains experimental data from a sample (InChI=1S/C24H23NO2/c1-27-22-14-12-21(13-15-22)25-24(26)23-16-19-7-6-17-2-4-18(5-3-17)8-10-20(23)11-9-19/h2-5,9,11-16H,6-8,10H2,1H3,(H,25,26)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/uokjhbloqcocru-uhfffaoysa-n/ir
title: IR (, InChI=1S/C24H23NO2/c1-27-22-14-12-21(13-15-22)25-24(26)23-16-19-7-6-17-2-4-18(5-3-17)8-10-20(23)11-9-19/h2-5,9,11-16H,6-8,10H2,1H3,(H,25,26))

description: dataset for IR
      
      IR (ATR, ṽ) = 2952, 2922, 2891, 2851, 2813, 2361, 2342, 1680, 1592, 1554, 1510, 1497, 1435, 1418, 1400, 1323, 1303, 1273, 1244, 1200, 1179, 1077, 946, 912, 884, 867, 798, 762, 721, 707, 667, 633, 577, 560, 511, 442, 422, 398 cm–1.
DOI: 10.14272/gegafqzcvuofhp-uhfffaoysa-n.1
title: C20H20N2O3
title: InChI=1S/C20H20N2O3/c1-25-20(24)18(11-14-7-3-2-4-8-14)22-19(23)12-15-13-21-17-10-6-5-9-16(15)17/h2-10,13,18,21H,11-12H2,1H3,(H,22,23)

description: This dataset contains experimental data from a sample (methyl 2-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylpropanoate, InChI=1S/C20H20N2O3/c1-25-20(24)18(11-14-7-3-2-4-8-14)22-19(23)12-15-13-21-17-10-6-5-9-16(15)17/h2-10,13,18,21H,11-12H2,1H3,(H,22,23)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/gegafqzcvuofhp-uhfffaoysa-n/ir
title: IR (methyl 2-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylpropanoate, InChI=1S/C20H20N2O3/c1-25-20(24)18(11-14-7-3-2-4-8-14)22-19(23)12-15-13-21-17-10-6-5-9-16(15)17/h2-10,13,18,21H,11-12H2,1H3,(H,22,23))

description: dataset for IR
      
      IR (ATR, ṽ) = 3418, 3319, 3060, 3034, 2956, 2927, 2849, 2361, 2342, 1751, 1744, 1706, 1645, 1526, 1494, 1456, 1443, 1432, 1374, 1358, 1349, 1336, 1300, 1276, 1264, 1252, 1230, 1214, 1190, 1169, 1120, 1088, 1068, 1047, 1027, 1010, 1003, 982, 956, 932, 914, 877, 841, 826, 782, 762, 737, 708, 700, 657, 616, 606, 575, 561, 530, 514, 486, 470, 419, 408, 397 cm–1.
DOI: 10.14272/sahpptpedseynh-uhfffaoysa-n.1
title: C24H20N2O
title: InChI=1S/C24H20N2O/c1-2-3-13-26-16-22(21-14-17(15-25)11-12-23(21)26)24(27)20-10-6-8-18-7-4-5-9-19(18)20/h4-12,14,16H,2-3,13H2,1H3

description: This dataset contains experimental data from a sample (InChI=1S/C24H20N2O/c1-2-3-13-26-16-22(21-14-17(15-25)11-12-23(21)26)24(27)20-10-6-8-18-7-4-5-9-19(18)20/h4-12,14,16H,2-3,13H2,1H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/sahpptpedseynh-uhfffaoysa-n/ir
title: IR (, InChI=1S/C24H20N2O/c1-2-3-13-26-16-22(21-14-17(15-25)11-12-23(21)26)24(27)20-10-6-8-18-7-4-5-9-19(18)20/h4-12,14,16H,2-3,13H2,1H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3121, 3101, 3080, 3044, 2951, 2927, 2868, 2361, 2342, 2224, 1901, 1745, 1724, 1623, 1605, 1591, 1575, 1523, 1507, 1469, 1456, 1394, 1373, 1344, 1317, 1303, 1283, 1269, 1252, 1237, 1200, 1162, 1146, 1132, 1096, 1062, 1023, 996, 976, 956, 933, 909, 877, 853, 815, 783, 756, 739, 732, 687, 670, 642, 630, 609, 595, 545, 511, 494, 469, 459, 424, 405, 398, 385 cm–1.
DOI: 10.14272/vdapzyqqqgludm-uhfffaoysa-n.1
title: 1-(1-butylindol-3-yl)ethanone
title: InChI=1S/C14H17NO/c1-3-4-9-15-10-13(11(2)16)12-7-5-6-8-14(12)15/h5-8,10H,3-4,9H2,1-2H3

description: This dataset contains experimental data from a sample (1-(1-butylindol-3-yl)ethanone, InChI=1S/C14H17NO/c1-3-4-9-15-10-13(11(2)16)12-7-5-6-8-14(12)15/h5-8,10H,3-4,9H2,1-2H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/xcemfvwvjilgkg-uhfffaoysa-n.1
title: C21H22O4
title: InChI=1S/C21H22O4/c1-12-13(2)20-18(14(3)19(12)24-5)11-16(21(22)25-20)10-15-6-8-17(23-4)9-7-15/h6-9,11H,10H2,1-5H3

description: This dataset contains experimental data from a sample (6-methoxy-3-[(4-methoxyphenyl)methyl]-5,7,8-trimethylchromen-2-one, InChI=1S/C21H22O4/c1-12-13(2)20-18(14(3)19(12)24-5)11-16(21(22)25-20)10-15-6-8-17(23-4)9-7-15/h6-9,11H,10H2,1-5H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/xcemfvwvjilgkg-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (6-methoxy-3-[(4-methoxyphenyl)methyl]-5,7,8-trimethylchromen-2-one)
title: InChI=1S/C21H22O4/c1-12-13(2)20-18(14(3)19(12)24-5)11-16(21(22)25-20)10-15-6-8-17(23-4)9-7-15/h6-9,11H,10H2,1-5H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3012, 2979, 2962, 2919, 2850, 2832, 2356, 1720, 1608, 1595, 1584, 1568, 1509, 1449, 1419, 1375, 1333, 1302, 1282, 1272, 1244, 1211, 1196, 1177, 1133, 1109, 1091, 1068, 1026, 1001, 963, 949, 929, 921, 905, 877, 847, 839, 819, 802, 790, 762, 752, 737, 724, 704, 686, 652, 636, 616, 602, 577, 548, 538, 528, 513, 497, 489, 460, 415, 404 cm–1.
DOI: 10.14272/zcsyabzyyyqjdh-uhfffaoysa-n.2
title: 3-[1-(1,3-dithiolan-2-ylidene)ethyl]cyclohexan-1-one
title: InChI=1S/C11H16OS2/c1-8(11-13-5-6-14-11)9-3-2-4-10(12)7-9/h9H,2-7H2,1H3

description: This dataset contains experimental data from a sample (3-[1-(1,3-dithiolan-2-ylidene)ethyl]cyclohexan-1-one, InChI=1S/C11H16OS2/c1-8(11-13-5-6-14-11)9-3-2-4-10(12)7-9/h9H,2-7H2,1H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/zcsyabzyyyqjdh-uhfffaoysa-n/ir.1
title: IR (3-[1-(1,3-dithiolan-2-ylidene)ethyl]cyclohexan-1-one, InChI=1S/C11H16OS2/c1-8(11-13-5-6-14-11)9-3-2-4-10(12)7-9/h9H,2-7H2,1H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 2955, 2914, 2876, 2856, 2826, 2361, 2342, 1696, 1604, 1446, 1421, 1383, 1364, 1346, 1319, 1266, 1224, 1181, 1152, 1105, 1061, 1038, 1018, 975, 928, 904, 891, 860, 847, 816, 755, 684, 669, 652, 616, 574, 499, 469, 446, 418, 382 cm–1.
DOI: 10.14272/fhsrqgxdvxfrhu-foclmdbbsa-n.1
title: C12H8I2N2
title: InChI=1S/C12H8I2N2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H/b16-15+

description: This dataset contains experimental data from a sample (InChI=1S/C12H8I2N2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H/b16-15+).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/fhsrqgxdvxfrhu-foclmdbbsa-n/ir
title: IR (, InChI=1S/C12H8I2N2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H/b16-15+)

description: dataset for IR
      
      IR (ATR, ṽ) = 2415, 2361, 2342, 2257, 2187, 2116, 2079, 1884, 1643, 1609, 1570, 1476, 1421, 1398, 1370, 1286, 1266, 1179, 1129, 1111, 1092, 1055, 1003, 950, 935, 824, 802, 683, 528, 514, 487, 392 cm–1.
DOI: 10.14272/ubjnmylugsfpdy-uhfffaoysa-n.1
title: C15H20N2O3
title: InChI=1S/C15H20N2O3/c1-12(18)7-5-6-10-14(17-16)15(19)20-11-13-8-3-2-4-9-13/h2-4,8-9,12,18H,5-7,10-11H2,1H3

description: This dataset contains experimental data from a sample (InChI=1S/C15H20N2O3/c1-12(18)7-5-6-10-14(17-16)15(19)20-11-13-8-3-2-4-9-13/h2-4,8-9,12,18H,5-7,10-11H2,1H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/uxjqjhoqlucghc-uhfffaoysa-n.1
title: C26H23NO2
title: InChI=1S/C26H23NO2/c1-3-5-15-27-18-24(23-17-20(29-16-4-2)13-14-25(23)27)26(28)22-12-8-10-19-9-6-7-11-21(19)22/h2,6-14,17-18H,3,5,15-16H2,1H3

description: This dataset contains experimental data from a sample (InChI=1S/C26H23NO2/c1-3-5-15-27-18-24(23-17-20(29-16-4-2)13-14-25(23)27)26(28)22-12-8-10-19-9-6-7-11-21(19)22/h2,6-14,17-18H,3,5,15-16H2,1H3).
      The datasets from the following experiments are available:
      
      IR