cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/zsdcojytopqnrk-uhfffaoysa-n.1
title: C41H33NO
title: InChI=1S/C41H33NO/c43-41(35-10-4-1-5-11-35)40-29-31-17-16-30-18-20-32(22-23-34(40)21-19-31)39(28-30)33-24-26-38(27-25-33)42(36-12-6-2-7-13-36)37-14-8-3-9-15-37/h1-15,18-21,24-29H,16-17,22-23H2

description: This dataset contains experimental data from a sample (InChI=1S/C41H33NO/c43-41(35-10-4-1-5-11-35)40-29-31-17-16-30-18-20-32(22-23-34(40)21-19-31)39(28-30)33-24-26-38(27-25-33)42(36-12-6-2-7-13-36)37-14-8-3-9-15-37/h1-15,18-21,24-29H,16-17,22-23H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/zsdcojytopqnrk-uhfffaoysa-n/ir
title: IR (, InChI=1S/C41H33NO/c43-41(35-10-4-1-5-11-35)40-29-31-17-16-30-18-20-32(22-23-34(40)21-19-31)39(28-30)33-24-26-38(27-25-33)42(36-12-6-2-7-13-36)37-14-8-3-9-15-37/h1-15,18-21,24-29H,16-17,22-23H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 3024, 2921, 2849, 2364, 1731, 1652, 1587, 1509, 1485, 1445, 1397, 1315, 1269, 1241, 1201, 1194, 1174, 1154, 1111, 1075, 1026, 976, 914, 836, 800, 752, 734, 694, 660, 647, 635, 623, 603, 572, 550, 510, 486, 465, 419 cm–1.
DOI: 10.14272/cfldwdvclodtos-uhfffaoysa-n.1
title: C28H30O4
title: InChI=1S/C28H30O4/c1-17(2)31-27(29)23-11-7-21(8-12-23)25-15-20(6)26(16-19(25)5)22-9-13-24(14-10-22)28(30)32-18(3)4/h7-18H,1-6H3

description: This dataset contains experimental data from a sample (InChI=1S/C28H30O4/c1-17(2)31-27(29)23-11-7-21(8-12-23)25-15-20(6)26(16-19(25)5)22-9-13-24(14-10-22)28(30)32-18(3)4/h7-18H,1-6H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/cfldwdvclodtos-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C28H30O4/c1-17(2)31-27(29)23-11-7-21(8-12-23)25-15-20(6)26(16-19(25)5)22-9-13-24(14-10-22)28(30)32-18(3)4/h7-18H,1-6H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2985, 2958, 2938, 2921, 2866, 1710, 1608, 1567, 1489, 1468, 1449, 1412, 1375, 1356, 1333, 1310, 1273, 1177, 1146, 1120, 1092, 1043, 1016, 979, 915, 902, 863, 851, 823, 778, 766, 732, 713, 586, 518, 487, 448, 422 cm–1.
DOI: 10.14272/hcdwnmkqsjwglu-uhfffaoysa-n.1
title: C23H29NO
title: 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

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

description: 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.
DOI: 10.14272/huiyifiimhkyip-uhfffaoysa-n.1
title: 2-nitro-5-phenylmethoxybenzoic acid
title: InChI=1S/C14H11NO5/c16-14(17)12-8-11(6-7-13(12)15(18)19)20-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)

description: This dataset contains experimental data from a sample (2-nitro-5-phenylmethoxybenzoic acid, InChI=1S/C14H11NO5/c16-14(17)12-8-11(6-7-13(12)15(18)19)20-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/huiyifiimhkyip-uhfffaoysa-n/ir
title: IR (2-nitro-5-phenylmethoxybenzoic acid, InChI=1S/C14H11NO5/c16-14(17)12-8-11(6-7-13(12)15(18)19)20-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17))

description: dataset for IR
      
      IR (ATR, ṽ) = 2839, 2527, 1703, 1589, 1513, 1490, 1453, 1429, 1384, 1334, 1293, 1271, 1241, 1179, 1159, 1140, 1060, 996, 963, 926, 915, 861, 850, 837, 778, 758, 741, 697, 666, 643, 561, 511, 467, 394 cm–1.
DOI: 10.14272/jldkpcpjlwyzdo-uhfffaoysa-n.1
title: C21H30N2O3
title: InChI=1S/C21H30N2O3/c1-5-6-11-23-14-16(17-9-7-8-10-19(17)23)13-20(24)22-18(12-15(2)3)21(25)26-4/h7-10,14-15,18H,5-6,11-13H2,1-4H3,(H,22,24)

description: This dataset contains experimental data from a sample (InChI=1S/C21H30N2O3/c1-5-6-11-23-14-16(17-9-7-8-10-19(17)23)13-20(24)22-18(12-15(2)3)21(25)26-4/h7-10,14-15,18H,5-6,11-13H2,1-4H3,(H,22,24)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/jldkpcpjlwyzdo-uhfffaoysa-n/ir
title: IR (, InChI=1S/C21H30N2O3/c1-5-6-11-23-14-16(17-9-7-8-10-19(17)23)13-20(24)22-18(12-15(2)3)21(25)26-4/h7-10,14-15,18H,5-6,11-13H2,1-4H3,(H,22,24))

description: dataset for IR
      
      IR (ATR, ṽ) = 3261, 3057, 2953, 2931, 2870, 1745, 1639, 1544, 1482, 1468, 1435, 1367, 1334, 1271, 1227, 1207, 1156, 1086, 1027, 1014, 993, 922, 823, 771, 737, 647, 605, 561, 517, 467, 428, 380 cm–1.
DOI: 10.14272/jzdstrmmqzsyff-uhfffaoysa-n.1
title: 4-[4-(4-carboxyphenyl)-2,5-dimethylphenyl]benzoic acid
title: InChI=1S/C22H18O4/c1-13-11-20(16-5-9-18(10-6-16)22(25)26)14(2)12-19(13)15-3-7-17(8-4-15)21(23)24/h3-12H,1-2H3,(H,23,24)(H,25,26)

description: This dataset contains experimental data from a sample (4-[4-(4-carboxyphenyl)-2,5-dimethylphenyl]benzoic acid, InChI=1S/C22H18O4/c1-13-11-20(16-5-9-18(10-6-16)22(25)26)14(2)12-19(13)15-3-7-17(8-4-15)21(23)24/h3-12H,1-2H3,(H,23,24)(H,25,26)). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/jzdstrmmqzsyff-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (4-[4-(4-carboxyphenyl)-2,5-dimethylphenyl]benzoic acid)
title: InChI=1S/C22H18O4/c1-13-11-20(16-5-9-18(10-6-16)22(25)26)14(2)12-19(13)15-3-7-17(8-4-15)21(23)24/h3-12H,1-2H3,(H,23,24)(H,25,26)

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3009, 2985, 2972, 2932, 2884, 2670, 2546, 1686, 1605, 1565, 1521, 1489, 1422, 1385, 1312, 1283, 1217, 1171, 1125, 1101, 1035, 1017, 916, 895, 854, 809, 786, 758, 708, 696, 582, 547, 506, 462 cm–1.
DOI: 10.14272/mrpumaflnfwmqi-uhfffaoysa-n.1
title: dimethyl 2-[1-(1,3-dithiolan-2-ylidene)propyl]butanedioate
title: InChI=1S/C12H18O4S2/c1-4-8(12-17-5-6-18-12)9(11(14)16-3)7-10(13)15-2/h9H,4-7H2,1-3H3

description: This dataset contains experimental data from a sample (dimethyl 2-[1-(1,3-dithiolan-2-ylidene)propyl]butanedioate, InChI=1S/C12H18O4S2/c1-4-8(12-17-5-6-18-12)9(11(14)16-3)7-10(13)15-2/h9H,4-7H2,1-3H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/mrpumaflnfwmqi-uhfffaoysa-n/ir.1
title: IR (dimethyl 2-[1-(1,3-dithiolan-2-ylidene)propyl]butanedioate, InChI=1S/C12H18O4S2/c1-4-8(12-17-5-6-18-12)9(11(14)16-3)7-10(13)15-2/h9H,4-7H2,1-3H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 2992, 2979, 2946, 2925, 2878, 1731, 1588, 1452, 1438, 1429, 1402, 1364, 1333, 1261, 1215, 1208, 1154, 1149, 1094, 1055, 996, 980, 960, 919, 892, 846, 827, 756, 713, 684, 633, 557, 524, 421, 378 cm–1.
DOI: 10.14272/qculhpgmkxpela-uhfffaoysa-n/ir
title: IR (, InChI=1S/C12H15N3O/c1-12(2,3)11(16)15-9-7-5-4-6-8(9)10(13)14-15/h4-7H,1-3H3,(H2,13,14))

description: dataset for IR
      
      IR (ATR, ṽ) = 3449, 3352, 2970, 2956, 2929, 2871, 1659, 1622, 1551, 1482, 1443, 1424, 1394, 1370, 1358, 1326, 1252, 1196, 1137, 1079, 1028, 1014, 938, 908, 863, 817, 789, 752, 654, 608, 558, 541, 465, 424 cm–1.
DOI: 10.14272/raxsduzuoxmffe-uhfffaoysa-n.1
title: C23H23N3O
title: InChI=1S/C23H23N3O/c1-2-3-8-16-26-21-15-7-6-13-20(21)22(25-26)24-23(27)19-14-9-11-17-10-4-5-12-18(17)19/h4-7,9-15H,2-3,8,16H2,1H3,(H,24,25,27)

description: This dataset contains experimental data from a sample (InChI=1S/C23H23N3O/c1-2-3-8-16-26-21-15-7-6-13-20(21)22(25-26)24-23(27)19-14-9-11-17-10-4-5-12-18(17)19/h4-7,9-15H,2-3,8,16H2,1H3,(H,24,25,27)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/raxsduzuoxmffe-uhfffaoysa-n/ir
title: IR (, InChI=1S/C23H23N3O/c1-2-3-8-16-26-21-15-7-6-13-20(21)22(25-26)24-23(27)19-14-9-11-17-10-4-5-12-18(17)19/h4-7,9-15H,2-3,8,16H2,1H3,(H,24,25,27))

description: dataset for IR
      
      IR (ATR, ṽ) = 3224, 3214, 3154, 3118, 3052, 3014, 2955, 2928, 2869, 2857, 1668, 1615, 1578, 1529, 1493, 1464, 1425, 1409, 1354, 1315, 1283, 1250, 1213, 1199, 1166, 1134, 1085, 1046, 1024, 1007, 973, 926, 901, 867, 828, 807, 779, 740, 681, 653, 620, 591, 555, 538, 514, 508, 467, 438, 414, 404 cm–1.
DOI: 10.14272/tzfwpfbbupqhoj-ccezhusrsa-n.1
title: C12H18IN3
title: InChI=1S/C12H18IN3/c1-9(2)16(10(3)4)15-14-12-7-5-11(13)6-8-12/h5-10H,1-4H3/b15-14+

description: This dataset contains experimental data from a sample (InChI=1S/C12H18IN3/c1-9(2)16(10(3)4)15-14-12-7-5-11(13)6-8-12/h5-10H,1-4H3/b15-14+).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/tzfwpfbbupqhoj-ccezhusrsa-n/ir.1
title: IR (, InChI=1S/C12H18IN3/c1-9(2)16(10(3)4)15-14-12-7-5-11(13)6-8-12/h5-10H,1-4H3/b15-14+)

description: dataset for IR
      
      IR (ATR, ṽ) = 2972, 2929, 2868, 1472, 1419, 1402, 1388, 1380, 1364, 1298, 1275, 1262, 1222, 1194, 1160, 1126, 1099, 1054, 1030, 1000, 914, 854, 826, 749, 703, 662, 629, 577, 550, 535, 507, 472 cm–1.
DOI: 10.14272/vypzghxepuxqiy-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (4-[2,5-bis(azidomethyl)-4-(4-carboxyphenyl)phenyl]benzoic acid)
title: InChI=1S/C22H16N6O4/c23-27-25-11-17-10-20(14-3-7-16(8-4-14)22(31)32)18(12-26-28-24)9-19(17)13-1-5-15(6-2-13)21(29)30/h1-10H,11-12H2,(H,29,30)(H,31,32)

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2972, 2660, 2536, 2092, 1683, 1606, 1570, 1417, 1316, 1279, 1259, 1179, 1153, 1125, 1101, 1016, 919, 858, 802, 776, 704, 545 cm–1.
DOI: 10.14272/bdglyifqhwphgi-uhfffaoysa-n.1
title: C24H23IO4
title: InChI=1S/C24H23IO4/c1-16-10-17(2)13-20(12-16)23(26)28-25(22-8-6-5-7-9-22)29-24(27)21-14-18(3)11-19(4)15-21/h5-15H,1-4H3

description: This dataset contains experimental data from a sample ([(3,5-dimethylbenzoyl)oxy-phenyl-lambda3-iodanyl] 3,5-dimethylbenzoate, InChI=1S/C24H23IO4/c1-16-10-17(2)13-20(12-16)23(26)28-25(22-8-6-5-7-9-22)29-24(27)21-14-18(3)11-19(4)15-21/h5-15H,1-4H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/bdglyifqhwphgi-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) ([(3,5-dimethylbenzoyl)oxy-phenyl-lambda3-iodanyl] 3,5-dimethylbenzoate)
title: InChI=1S/C24H23IO4/c1-16-10-17(2)13-20(12-16)23(26)28-25(22-8-6-5-7-9-22)29-24(27)21-14-18(3)11-19(4)15-21/h5-15H,1-4H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2915, 1638, 1602, 1581, 1472, 1449, 1436, 1375, 1320, 1307, 1232, 1176, 1163, 1118, 1043, 1017, 994, 942, 916, 897, 874, 765, 742, 677, 653, 582, 544, 503, 480, 452, 391 cm–1.
DOI: 10.14272/bwhfzfgbnfjzah-uhfffaoysa-n.1
title: C20H24N2O
title: InChI=1S/C20H24N2O/c1-2-3-11-22-14-18(20(23)16-7-5-4-6-8-16)17-12-15(13-21)9-10-19(17)22/h9-10,12,14,16H,2-8,11H2,1H3

description: This dataset contains experimental data from a sample (InChI=1S/C20H24N2O/c1-2-3-11-22-14-18(20(23)16-7-5-4-6-8-16)17-12-15(13-21)9-10-19(17)22/h9-10,12,14,16H,2-8,11H2,1H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/bwhfzfgbnfjzah-uhfffaoysa-n/ir
title: IR (, InChI=1S/C20H24N2O/c1-2-3-11-22-14-18(20(23)16-7-5-4-6-8-16)17-12-15(13-21)9-10-19(17)22/h9-10,12,14,16H,2-8,11H2,1H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3080, 2959, 2921, 2871, 2847, 2360, 2340, 2221, 1632, 1611, 1523, 1459, 1445, 1407, 1387, 1358, 1334, 1289, 1262, 1232, 1201, 1193, 1174, 1154, 1135, 1096, 1065, 1054, 1041, 1028, 1006, 976, 950, 921, 891, 837, 813, 798, 781, 766, 755, 730, 718, 688, 669, 629, 586, 541, 517, 496, 438, 419, 387 cm–1.
DOI: 10.14272/mwqivjvkrdorcl-uhfffaoysa-n.1
title: 4-[tris(4-bromophenyl)methyl]aniline
title: InChI=1S/C25H18Br3N/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20/h1-16H,29H2

description: This dataset contains experimental data from a sample (4-[tris(4-bromophenyl)methyl]aniline, InChI=1S/C25H18Br3N/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20/h1-16H,29H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/mwqivjvkrdorcl-uhfffaoysa-n/ir
title: IR (4-[tris(4-bromophenyl)methyl]aniline, InChI=1S/C25H18Br3N/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20/h1-16H,29H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 3476, 3377, 2361, 2342, 1608, 1567, 1534, 1477, 1468, 1397, 1289, 1214, 1187, 1147, 1074, 1057, 1006, 873, 834, 810, 783, 761, 728, 721, 708, 681, 669, 633, 620, 603, 541, 507, 490, 446, 407, 397, 385 cm–1.
DOI: 10.14272/nlcytwwwiqtedh-uhfffaoysa-n.1
title: methyl 2-nitro-5-phenylmethoxybenzoate
title: InChI=1S/C15H13NO5/c1-20-15(17)13-9-12(7-8-14(13)16(18)19)21-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3

description: This dataset contains experimental data from a sample (methyl 2-nitro-5-phenylmethoxybenzoate, InChI=1S/C15H13NO5/c1-20-15(17)13-9-12(7-8-14(13)16(18)19)21-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/nlcytwwwiqtedh-uhfffaoysa-n.2
title: methyl 2-nitro-5-phenylmethoxybenzoate
title: InChI=1S/C15H13NO5/c1-20-15(17)13-9-12(7-8-14(13)16(18)19)21-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3

description: This dataset contains experimental data from a sample (methyl 2-nitro-5-phenylmethoxybenzoate, InChI=1S/C15H13NO5/c1-20-15(17)13-9-12(7-8-14(13)16(18)19)21-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/nlcytwwwiqtedh-uhfffaoysa-n/ir
title: IR (methyl 2-nitro-5-phenylmethoxybenzoate, InChI=1S/C15H13NO5/c1-20-15(17)13-9-12(7-8-14(13)16(18)19)21-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 2953, 1728, 1616, 1579, 1513, 1483, 1468, 1455, 1439, 1340, 1307, 1262, 1234, 1187, 1129, 1064, 1000, 960, 908, 892, 832, 796, 748, 697, 676, 652, 637, 578, 560, 506, 463 cm–1.
DOI: 10.14272/nlcytwwwiqtedh-uhfffaoysa-n/ir.1
title: IR (methyl 2-nitro-5-phenylmethoxybenzoate, InChI=1S/C15H13NO5/c1-20-15(17)13-9-12(7-8-14(13)16(18)19)21-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 2953, 1728, 1616, 1579, 1513, 1483, 1468, 1455, 1439, 1383, 1340, 1307, 1262, 1234, 1187, 1129, 1064, 1000, 960, 908, 892, 832, 796, 748, 697, 676, 652, 637, 578, 560, 506, 463 cm–1.
DOI: 10.14272/shwdycmmuppwqm-uhfffaoysa-n.1
title: 1-adamantyl-(1-pentylindol-3-yl)methanone
title: InChI=1S/C24H31NO/c1-2-3-6-9-25-16-21(20-7-4-5-8-22(20)25)23(26)24-13-17-10-18(14-24)12-19(11-17)15-24/h4-5,7-8,16-19H,2-3,6,9-15H2,1H3

description: This dataset contains experimental data from a sample (1-adamantyl-(1-pentylindol-3-yl)methanone, InChI=1S/C24H31NO/c1-2-3-6-9-25-16-21(20-7-4-5-8-22(20)25)23(26)24-13-17-10-18(14-24)12-19(11-17)15-24/h4-5,7-8,16-19H,2-3,6,9-15H2,1H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/shwdycmmuppwqm-uhfffaoysa-n/ir
title: IR (1-adamantyl-(1-pentylindol-3-yl)methanone, InChI=1S/C24H31NO/c1-2-3-6-9-25-16-21(20-7-4-5-8-22(20)25)23(26)24-13-17-10-18(14-24)12-19(11-17)15-24/h4-5,7-8,16-19H,2-3,6,9-15H2,1H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3121, 3053, 2900, 2849, 2360, 2342, 1618, 1611, 1574, 1540, 1516, 1480, 1465, 1452, 1395, 1371, 1341, 1312, 1292, 1265, 1255, 1215, 1188, 1183, 1171, 1147, 1133, 1116, 1099, 1047, 1038, 1016, 973, 936, 905, 881, 857, 823, 799, 768, 741, 671, 636, 622, 594, 572, 547, 483, 442, 425, 385 cm–1.
DOI: 10.14272/xfkwclgrwpwsmd-uhfffaoysa-n.2
title: 1-(4-chlorophenyl)triazole
title: InChI=1S/C8H6ClN3/c9-7-1-3-8(4-2-7)12-6-5-10-11-12/h1-6H

description: This dataset contains experimental data from a sample (1-(4-chlorophenyl)triazole, InChI=1S/C8H6ClN3/c9-7-1-3-8(4-2-7)12-6-5-10-11-12/h1-6H).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/zsjirgbdymyvdo-uhfffaoysa-n.1
title: 2,5-dimethylbenzene-1,4-dicarbonitrile
title: InChI=1S/C10H8N2/c1-7-3-10(6-12)8(2)4-9(7)5-11/h3-4H,1-2H3

description: This dataset contains experimental data from a sample (2,5-dimethylbenzene-1,4-dicarbonitrile, InChI=1S/C10H8N2/c1-7-3-10(6-12)8(2)4-9(7)5-11/h3-4H,1-2H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/zsjirgbdymyvdo-uhfffaoysa-n/ir
title: IR (2,5-dimethylbenzene-1,4-dicarbonitrile, InChI=1S/C10H8N2/c1-7-3-10(6-12)8(2)4-9(7)5-11/h3-4H,1-2H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3040, 2360, 2342, 2220, 1803, 1493, 1445, 1436, 1390, 1283, 1271, 1191, 1035, 979, 905, 799, 669, 642, 619, 516, 463, 419, 404, 398, 385 cm–1.
DOI: 10.14272/baaqgxmynqwcra-uhfffaoysa-n.1
title: 1-(12-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl)ethanone
title: InChI=1S/C18H17BrO/c1-12(20)17-10-13-2-3-14-5-7-16(18(19)11-14)9-8-15(17)6-4-13/h4-7,10-11H,2-3,8-9H2,1H3

description: This dataset contains experimental data from a sample (1-(12-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl)ethanone, InChI=1S/C18H17BrO/c1-12(20)17-10-13-2-3-14-5-7-16(18(19)11-14)9-8-15(17)6-4-13/h4-7,10-11H,2-3,8-9H2,1H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/baaqgxmynqwcra-uhfffaoysa-n/ir
title: IR (1-(12-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl)ethanone, InChI=1S/C18H17BrO/c1-12(20)17-10-13-2-3-14-5-7-16(18(19)11-14)9-8-15(17)6-4-13/h4-7,10-11H,2-3,8-9H2,1H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 2925, 2890, 2851, 2356, 1900, 1694, 1672, 1589, 1548, 1500, 1483, 1434, 1412, 1388, 1356, 1322, 1265, 1211, 1186, 1152, 1137, 1118, 993, 955, 945, 915, 901, 884, 858, 798, 761, 721, 686, 650, 630, 586, 506, 480, 456, 395 cm–1.
DOI: 10.14272/dtjkhxffzvbxrw-uhfffaoysa-n.1
title: C17H23N3O2
title: InChI=1S/C17H23N3O2/c1-16(2,3)14(21)18-13-11-9-7-8-10-12(11)20(19-13)15(22)17(4,5)6/h7-10H,1-6H3,(H,18,19,21)

description: This dataset contains experimental data from a sample (InChI=1S/C17H23N3O2/c1-16(2,3)14(21)18-13-11-9-7-8-10-12(11)20(19-13)15(22)17(4,5)6/h7-10H,1-6H3,(H,18,19,21)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/dtjkhxffzvbxrw-uhfffaoysa-n/ir
title: IR (, InChI=1S/C17H23N3O2/c1-16(2,3)14(21)18-13-11-9-7-8-10-12(11)20(19-13)15(22)17(4,5)6/h7-10H,1-6H3,(H,18,19,21))

description: dataset for IR
      
      IR (ATR, ṽ) = 3336, 3279, 2965, 2929, 2908, 2871, 2361, 2342, 1694, 1689, 1664, 1609, 1589, 1547, 1528, 1480, 1460, 1445, 1424, 1390, 1367, 1317, 1272, 1252, 1225, 1191, 1132, 1116, 1084, 1065, 1018, 982, 941, 908, 861, 854, 827, 816, 793, 782, 754, 669, 654, 637, 606, 586, 564, 548, 456, 433, 421, 407 cm–1.
DOI: 10.14272/lgbvjudeolyqds-uhfffaoysa-n.1
title: C13H24O2S2
title: InChI=1S/C13H24O2S2/c1-5-13(15)17-8-6-7-16-12(10(2)3)9-11(4)14/h10,12H,5-9H2,1-4H3

description: This dataset contains experimental data from a sample (InChI=1S/C13H24O2S2/c1-5-13(15)17-8-6-7-16-12(10(2)3)9-11(4)14/h10,12H,5-9H2,1-4H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/lgbvjudeolyqds-uhfffaoysa-n/ir
title: IR (, InChI=1S/C13H24O2S2/c1-5-13(15)17-8-6-7-16-12(10(2)3)9-11(4)14/h10,12H,5-9H2,1-4H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 2959, 2932, 2873, 1715, 1688, 1460, 1415, 1380, 1362, 1329, 1297, 1252, 1197, 1158, 1132, 1089, 1017, 932, 840, 787, 714, 589, 504, 467, 442, 424 cm–1.
DOI: 10.14272/osijlxixcgmrer-uhfffaoysa-n.1
title: N-(3-iodophenyl)prop-2-enamide
title: InChI=1S/C9H8INO/c1-2-9(12)11-8-5-3-4-7(10)6-8/h2-6H,1H2,(H,11,12)

description: This dataset contains experimental data from a sample (N-(3-iodophenyl)prop-2-enamide, InChI=1S/C9H8INO/c1-2-9(12)11-8-5-3-4-7(10)6-8/h2-6H,1H2,(H,11,12)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/pyglvrgksajwoe-gosisdbhsa-n.1
title: C20H18N2O7
title: InChI=1S/C20H18N2O7/c1-28-20(25)18-9-14(23)11-21(18)19(24)16-10-15(7-8-17(16)22(26)27)29-12-13-5-3-2-4-6-13/h2-8,10,18H,9,11-12H2,1H3/t18-/m1/s1

description: This dataset contains experimental data from a sample (InChI=1S/C20H18N2O7/c1-28-20(25)18-9-14(23)11-21(18)19(24)16-10-15(7-8-17(16)22(26)27)29-12-13-5-3-2-4-6-13/h2-8,10,18H,9,11-12H2,1H3/t18-/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/pyglvrgksajwoe-gosisdbhsa-n/ir
title: IR (, InChI=1S/C20H18N2O7/c1-28-20(25)18-9-14(23)11-21(18)19(24)16-10-15(7-8-17(16)22(26)27)29-12-13-5-3-2-4-6-13/h2-8,10,18H,9,11-12H2,1H3/t18-/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 3111, 3074, 3050, 3007, 2953, 2919, 2850, 2361, 2342, 1758, 1742, 1650, 1604, 1584, 1514, 1493, 1472, 1455, 1431, 1394, 1356, 1330, 1290, 1278, 1254, 1235, 1215, 1193, 1179, 1167, 1143, 1105, 1074, 1028, 1009, 983, 921, 895, 866, 851, 840, 819, 805, 751, 739, 703, 669, 650, 619, 608, 574, 560, 530, 499, 470, 459, 446, 435, 412, 404, 385 cm–1.
DOI: 10.14272/uctlsbfuhgknpl-uhfffaoysa-n.1
title: 1-(1,3-dithian-2-yl)ethanone
title: InChI=1S/C6H10OS2/c1-5(7)6-8-3-2-4-9-6/h6H,2-4H2,1H3

description: This dataset contains experimental data from a sample (1-(1,3-dithian-2-yl)ethanone, InChI=1S/C6H10OS2/c1-5(7)6-8-3-2-4-9-6/h6H,2-4H2,1H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/uctlsbfuhgknpl-uhfffaoysa-n/ir
title: IR (1-(1,3-dithian-2-yl)ethanone, InChI=1S/C6H10OS2/c1-5(7)6-8-3-2-4-9-6/h6H,2-4H2,1H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 2922, 1719, 1705, 1668, 1419, 1352, 1295, 1258, 1244, 1219, 1187, 1170, 1148, 1105, 1048, 1013, 987, 969, 909, 889, 795, 775, 724, 667, 626, 573, 563, 473, 445, 412 cm–1.
DOI: 10.14272/umgdcjdmyokajw-uhfffaoysa-n.1
title: thiourea
title: InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)

description: This dataset contains experimental data from a sample (carbamimidothioic acid, InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/umgdcjdmyokajw-uhfffaoysa-n/ir
title: IR (carbamimidothioic acid, InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4))

description: dataset for IR
      
      IR (ATR, ṽ) = 3364, 3260, 3144, 3089, 3022, 2677, 2355, 1603, 1462, 1405, 1203, 1079, 728, 622 cm–1.
DOI: 10.14272/vcfllxdsoodegv-uhfffaoysa-n.1
title: N-(1H-indazol-3-yl)acetamide
title: InChI=1S/C9H9N3O/c1-6(13)10-9-7-4-2-3-5-8(7)11-12-9/h2-5H,1H3,(H2,10,11,12,13)

description: This dataset contains experimental data from a sample (N-(1H-indazol-3-yl)acetamide, InChI=1S/C9H9N3O/c1-6(13)10-9-7-4-2-3-5-8(7)11-12-9/h2-5H,1H3,(H2,10,11,12,13)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/vcfllxdsoodegv-uhfffaoysa-n/ir
title: IR (N-(1H-indazol-3-yl)acetamide, InChI=1S/C9H9N3O/c1-6(13)10-9-7-4-2-3-5-8(7)11-12-9/h2-5H,1H3,(H2,10,11,12,13))

description: dataset for IR
      
      IR (ATR, ṽ) = 3277, 3248, 3224, 3207, 3175, 3134, 3089, 3063, 3048, 3024, 3004, 2971, 2955, 2922, 2875, 2834, 2357, 2329, 1674, 1590, 1556, 1503, 1460, 1450, 1421, 1372, 1346, 1278, 1246, 1160, 1150, 1130, 1085, 1040, 1003, 969, 940, 911, 852, 807, 767, 736, 683, 648, 626, 593, 563, 546, 485, 426 cm–1.
DOI: 10.14272/wwhporvdznahju-uhfffaoysa-n.1
title: 1-butylindole-5-carbonitrile
title: InChI=1S/C13H14N2/c1-2-3-7-15-8-6-12-9-11(10-14)4-5-13(12)15/h4-6,8-9H,2-3,7H2,1H3

description: This dataset contains experimental data from a sample (1-butylindole-5-carbonitrile, InChI=1S/C13H14N2/c1-2-3-7-15-8-6-12-9-11(10-14)4-5-13(12)15/h4-6,8-9H,2-3,7H2,1H3).
      The datasets from the following experiments are available:
      
      IR