cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/abyzuzqruyxhcw-uhfffaoysa-n/ir
title: IR (1,3-bis[4-(trifluoromethyl)phenyl]thiourea, InChI=1S/C15H10F6N2S/c16-14(17,18)9-1-5-11(6-2-9)22-13(24)23-12-7-3-10(4-8-12)15(19,20)21/h1-8H,(H2,22,23,24))

description: dataset for IR
      
      IR (ATR, ṽ) = 3217, 3199, 3186, 3139, 3088, 3023, 1613, 1598, 1536, 1409, 1316, 1252, 1235, 1166, 1109, 1064, 1014, 933, 837, 815, 775, 738, 697, 659, 630, 588, 567, 504, 412, 397, 385 cm–1.
DOI: 10.14272/bvrkkcxftrhblp-uhfffaoysa-n.1
title: 1,3-bis(3,5-dimethylphenyl)thiourea
title: InChI=1S/C17H20N2S/c1-11-5-12(2)8-15(7-11)18-17(20)19-16-9-13(3)6-14(4)10-16/h5-10H,1-4H3,(H2,18,19,20)

description: This dataset contains experimental data from a sample (N,N'-bis(3,5-dimethylphenyl)carbamimidothioic acid, InChI=1S/C17H20N2S/c1-11-5-12(2)8-15(7-11)18-17(20)19-16-9-13(3)6-14(4)10-16/h5-10H,1-4H3,(H2,18,19,20)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/bvrkkcxftrhblp-uhfffaoysa-n/ir
title: IR (N,N'-bis(3,5-dimethylphenyl)carbamimidothioic acid, InChI=1S/C17H20N2S/c1-11-5-12(2)8-15(7-11)18-17(20)19-16-9-13(3)6-14(4)10-16/h5-10H,1-4H3,(H2,18,19,20))

description: dataset for IR
      
      IR (ATR, ṽ) = 3360, 3189, 3013, 2945, 2914, 2863, 1609, 1531, 1516, 1465, 1432, 1375, 1366, 1341, 1313, 1305, 1269, 1224, 1190, 1166, 1157, 1118, 1037, 997, 948, 907, 888, 861, 846, 820, 798, 705, 666, 649, 633, 575, 555, 537, 526, 513, 501, 479, 463, 415 cm–1.
DOI: 10.14272/cbmyfvsiiyilrh-uhfffaoysa-n.1
title: 2,4,6-tripyridin-4-yl-1,3,5-triazine
title: InChI=1S/C18H12N6/c1-7-19-8-2-13(1)16-22-17(14-3-9-20-10-4-14)24-18(23-16)15-5-11-21-12-6-15/h1-12H

description: This dataset contains experimental data from a sample (2,4,6-tripyridin-4-yl-1,3,5-triazine, InChI=1S/C18H12N6/c1-7-19-8-2-13(1)16-22-17(14-3-9-20-10-4-14)24-18(23-16)15-5-11-21-12-6-15/h1-12H).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/dbbxiwakmsmpdq-sncsuokwsa-n.1
title: C32H31N
title: InChI=1S/C32H31N/c1-24-7-9-28(10-8-24)22-32(30-5-3-2-4-6-30)33-23-31-21-27-16-15-25-11-13-26(14-12-25)17-19-29(31)20-18-27/h2-14,18,20-21,23,32H,15-17,19,22H2,1H3/b33-23-

description: This dataset contains experimental data from a sample (InChI=1S/C32H31N/c1-24-7-9-28(10-8-24)22-32(30-5-3-2-4-6-30)33-23-31-21-27-16-15-25-11-13-26(14-12-25)17-19-29(31)20-18-27/h2-14,18,20-21,23,32H,15-17,19,22H2,1H3/b33-23-).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/dbbxiwakmsmpdq-sncsuokwsa-n/ir
title: IR (, InChI=1S/C32H31N/c1-24-7-9-28(10-8-24)22-32(30-5-3-2-4-6-30)33-23-31-21-27-16-15-25-11-13-26(14-12-25)17-19-29(31)20-18-27/h2-14,18,20-21,23,32H,15-17,19,22H2,1H3/b33-23-)

description: dataset for IR
      
      IR (ATR, ṽ) = 3750, 3735, 3649, 1635, 1558, 1541, 1517, 1507, 1489, 1456, 1377, 807, 796, 765, 727, 711, 700, 652, 569, 543, 527, 516, 506, 483, 419, 397, 385 cm–1.
DOI: 10.5281/zenodo.3258375
title: Spread of the non-native anemone Anemonia alicemartinae Häussermann & Försterra, 2001 along the Humboldt-current large marine ecosystem: an ecological niche model approach

description: Environmental variables and script
DOI: 10.14272/djingzqbqmfkgx-uhfffaoysa-n.1
title: C17H14BrN
title: InChI=1S/C17H14BrN/c18-17-10-13-2-6-14-5-1-12(9-16(14)11-19)3-7-15(17)8-4-13/h1,4-5,8-10H,2-3,6-7H2

description: This dataset contains experimental data from a sample (11-bromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5-carbonitrile, InChI=1S/C17H14BrN/c18-17-10-13-2-6-14-5-1-12(9-16(14)11-19)3-7-15(17)8-4-13/h1,4-5,8-10H,2-3,6-7H2). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/djingzqbqmfkgx-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (11-bromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5-carbonitrile)
title: InChI=1S/C17H14BrN/c18-17-10-13-2-6-14-5-1-12(9-16(14)11-19)3-7-15(17)8-4-13/h1,4-5,8-10H,2-3,6-7H2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3012, 2963, 2934, 2849, 2364, 2217, 1584, 1536, 1475, 1446, 1432, 1388, 1316, 1222, 1187, 1154, 1031, 972, 953, 925, 904, 891, 871, 837, 799, 725, 708, 693, 669, 650, 613, 547, 521, 500, 475, 446, 419, 402, 385 cm–1.
DOI: 10.14272/pdekzhfjfskvgd-uhfffaoysa-n.1
title: C17H15BrO
title: InChI=1S/C17H15BrO/c18-17-10-13-2-6-14-5-1-12(9-16(14)11-19)3-7-15(17)8-4-13/h1,4-5,8-11H,2-3,6-7H2

description: This dataset contains experimental data from a sample (11-bromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5-carbaldehyde, InChI=1S/C17H15BrO/c18-17-10-13-2-6-14-5-1-12(9-16(14)11-19)3-7-15(17)8-4-13/h1,4-5,8-11H,2-3,6-7H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/pdekzhfjfskvgd-uhfffaoysa-n/ir
title: IR (11-bromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5-carbaldehyde, InChI=1S/C17H15BrO/c18-17-10-13-2-6-14-5-1-12(9-16(14)11-19)3-7-15(17)8-4-13/h1,4-5,8-11H,2-3,6-7H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 2928, 2851, 2731, 1677, 1585, 1548, 1538, 1485, 1475, 1442, 1434, 1391, 1283, 1224, 1194, 1184, 1159, 1142, 1129, 1103, 1088, 1028, 977, 970, 953, 935, 904, 892, 871, 858, 837, 823, 806, 793, 769, 739, 708, 690, 667, 647, 622, 523, 494, 477, 453, 401, 388 cm–1.
DOI: 10.14272/jsgqqgnvtxxnqn-uhfffaoysa-n.1
title: 2-hexadecoxy-2-oxoacetic acid
title: InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18(21)17(19)20/h2-16H2,1H3,(H,19,20)

description: This dataset contains experimental data from a sample (2-hexadecoxy-2-oxoacetic acid, InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18(21)17(19)20/h2-16H2,1H3,(H,19,20)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/jsgqqgnvtxxnqn-uhfffaoysa-n/ir.1
title: IR (2-hexadecoxy-2-oxoacetic acid, InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18(21)17(19)20/h2-16H2,1H3,(H,19,20))

description: dataset for IR
      
      IR (ATR, ṽ) = 3390, 2959, 2917, 2849, 1771, 1749, 1732, 1472, 1207, 960, 878, 731, 718, 680, 483, 397 cm–1.
DOI: 10.14272/lzugjdpwqmqpic-uxblzvdnsa-n.1
title: C14H17NO4
title: InChI=1S/C14H17NO4/c1-18-13(16)10-6-9-12(14(17)19-2)15-11-7-4-3-5-8-11/h3-8,10,12,15H,9H2,1-2H3/b10-6+

description: This dataset contains experimental data from a sample (InChI=1S/C14H17NO4/c1-18-13(16)10-6-9-12(14(17)19-2)15-11-7-4-3-5-8-11/h3-8,10,12,15H,9H2,1-2H3/b10-6+).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/mnzsugibhjbdrx-uhfffaoysa-n.1
title: 3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
title: InChI=1S/C5H6F3NO4/c6-5(7,8)4(13)9-2(1-10)3(11)12/h2,10H,1H2,(H,9,13)(H,11,12)

description: This dataset contains experimental data from a sample (3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid, InChI=1S/C5H6F3NO4/c6-5(7,8)4(13)9-2(1-10)3(11)12/h2,10H,1H2,(H,9,13)(H,11,12)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/mnzsugibhjbdrx-uhfffaoysa-n/ir
title: IR (3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid, InChI=1S/C5H6F3NO4/c6-5(7,8)4(13)9-2(1-10)3(11)12/h2,10H,1H2,(H,9,13)(H,11,12))

description: dataset for IR
      
      IR (ATR, ṽ) = 3417, 3312, 3088, 2956, 2895, 1706, 1663, 1551, 1426, 1360, 1139, 1086, 1023, 976, 905, 881, 841, 799, 779, 724, 707, 690, 652, 601, 531, 517, 439, 419, 385 cm–1.
DOI: 10.14272/vtnsboahafebki-uhfffaoysa-n.1
title: 3-[(2-methoxyphenyl)methyl]-5,8-dimethylchromen-2-one
title: InChI=1S/C19H18O3/c1-12-8-9-13(2)18-16(12)11-15(19(20)22-18)10-14-6-4-5-7-17(14)21-3/h4-9,11H,10H2,1-3H3

description: This dataset contains experimental data from a sample (3-[(2-methoxyphenyl)methyl]-5,8-dimethylchromen-2-one, InChI=1S/C19H18O3/c1-12-8-9-13(2)18-16(12)11-15(19(20)22-18)10-14-6-4-5-7-17(14)21-3/h4-9,11H,10H2,1-3H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/vtnsboahafebki-uhfffaoysa-n/ir
title: IR (3-[(2-methoxyphenyl)methyl]-5,8-dimethylchromen-2-one, InChI=1S/C19H18O3/c1-12-8-9-13(2)18-16(12)11-15(19(20)22-18)10-14-6-4-5-7-17(14)21-3/h4-9,11H,10H2,1-3H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3038, 3000, 2956, 2927, 2833, 1714, 1677, 1635, 1599, 1492, 1459, 1436, 1384, 1370, 1324, 1312, 1288, 1273, 1259, 1244, 1197, 1179, 1162, 1109, 1069, 1048, 1023, 990, 932, 914, 853, 837, 817, 785, 754, 693, 647, 609, 596, 579, 567, 545, 530, 499, 489, 473, 460, 439, 414, 388 cm–1.
DOI: 10.5281/zenodo.3258677
title: A PL/SQL Code Smell Data Set

description: A PL/SQL Code Smells data set extracted from 20 open source projects on GitHub.
DOI: 10.5281/zenodo.3258678
title: A PL/SQL Code Smell Data Set

description: A PL/SQL Code Smells data set extracted from 20 open source projects on GitHub.
DOI: 10.14272/dyuwqwmxzhdzor-uhfffaoysa-n.1
title: methyl 4-iodobenzoate
title: InChI=1S/C8H7IO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3

description: This dataset contains experimental data from a sample (methyl 4-iodobenzoate, InChI=1S/C8H7IO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/dyuwqwmxzhdzor-uhfffaoysa-n/ir
title: IR (methyl 4-iodobenzoate, InChI=1S/C8H7IO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 1707, 1670, 1584, 1558, 1541, 1455, 1436, 1391, 1283, 1272, 1248, 1196, 1179, 1115, 1106, 1086, 1006, 960, 844, 826, 752, 698, 684, 493, 462 cm–1.
DOI: 10.14272/fnfwfavdummrjn-uhfffaoysa-n.1
title: methyl 3-pyrazol-1-ylbenzoate
title: InChI=1S/C11H10N2O2/c1-15-11(14)9-4-2-5-10(8-9)13-7-3-6-12-13/h2-8H,1H3

description: This dataset contains experimental data from a sample (methyl 3-pyrazol-1-ylbenzoate, InChI=1S/C11H10N2O2/c1-15-11(14)9-4-2-5-10(8-9)13-7-3-6-12-13/h2-8H,1H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/fnfwfavdummrjn-uhfffaoysa-n/ir
title: IR (methyl 3-pyrazol-1-ylbenzoate, InChI=1S/C11H10N2O2/c1-15-11(14)9-4-2-5-10(8-9)13-7-3-6-12-13/h2-8H,1H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 1718, 1592, 1520, 1473, 1452, 1435, 1391, 1339, 1302, 1295, 1278, 1264, 1235, 1194, 1126, 1102, 1078, 1043, 941, 752, 730, 681 cm–1.
DOI: 10.14272/lzugjdpwqmqpic-uxblzvdnsa-n/ir
title: IR (, InChI=1S/C14H17NO4/c1-18-13(16)10-6-9-12(14(17)19-2)15-11-7-4-3-5-8-11/h3-8,10,12,15H,9H2,1-2H3/b10-6+)

description: dataset for IR
      
      IR (ATR, ṽ) = 3360, 2966, 2919, 2854, 1732, 1698, 1655, 1602, 1523, 1496, 1458, 1431, 1351, 1316, 1268, 1225, 1205, 1186, 1164, 1153, 1130, 1086, 1041, 1028, 989, 966, 846, 761, 755, 739, 715, 694, 538, 484, 472, 416 cm–1.
DOI: 10.14272/lzxxnpoyqclxrs-uhfffaoysa-n.1
title: methyl 4-aminobenzoate
title: InChI=1S/C8H9NO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,9H2,1H3

description: This dataset contains experimental data from a sample (methyl 4-aminobenzoate, InChI=1S/C8H9NO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,9H2,1H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/ufkrtewfeywihd-uhfffaoysa-n.1
title: N-(4-cyanophenyl)acetamide
title: InChI=1S/C9H8N2O/c1-7(12)11-9-4-2-8(6-10)3-5-9/h2-5H,1H3,(H,11,12)

description: This dataset contains experimental data from a sample (N-(4-cyanophenyl)acetamide, InChI=1S/C9H8N2O/c1-7(12)11-9-4-2-8(6-10)3-5-9/h2-5H,1H3,(H,11,12)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/ufkrtewfeywihd-uhfffaoysa-n/ir.1
title: IR (N-(4-cyanophenyl)acetamide, InChI=1S/C9H8N2O/c1-7(12)11-9-4-2-8(6-10)3-5-9/h2-5H,1H3,(H,11,12))

description: dataset for IR
      
      IR (ATR, ṽ) = 3250, 2215, 1667, 1595, 1540, 1507, 1490, 1404, 1361, 1319, 1264, 1174, 833, 817, 739, 598, 544, 477 cm–1.
DOI: 10.14272/lzxxnpoyqclxrs-uhfffaoysa-n/ir
title: IR (methyl 4-aminobenzoate, InChI=1S/C8H9NO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,9H2,1H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3401, 3326, 3221, 2941, 2840, 1683, 1636, 1596, 1507, 1435, 1310, 1279, 1198, 1174, 1116, 1077, 969, 850, 768, 703, 506, 493, 395 cm–1.
DOI: 10.14272/nnbvjxwntkhetp-uhfffaoysa-n.1
title: N-(4-azidophenyl)-4-methylbenzenesulfonamide
title: InChI=1S/C13H12N4O2S/c1-10-2-8-13(9-3-10)20(18,19)16-12-6-4-11(5-7-12)15-17-14/h2-9,16H,1H3

description: This dataset contains experimental data from a sample (N-(4-azidophenyl)-4-methylbenzenesulfonamide, InChI=1S/C13H12N4O2S/c1-10-2-8-13(9-3-10)20(18,19)16-12-6-4-11(5-7-12)15-17-14/h2-9,16H,1H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/qtdmmvrsqbvsoe-uhfffaoysa-n.1
title: C25H29NO3
title: InChI=1S/C25H29NO3/c1-3-4-10-25(11-6-7-12-25)19-16-22(28-2)21-15-18(24(27)29-23(21)17-19)14-20-9-5-8-13-26-20/h5,8-9,13,15-17H,3-4,6-7,10-12,14H2,1-2H3

description: This dataset contains experimental data from a sample (InChI=1S/C25H29NO3/c1-3-4-10-25(11-6-7-12-25)19-16-22(28-2)21-15-18(24(27)29-23(21)17-19)14-20-9-5-8-13-26-20/h5,8-9,13,15-17H,3-4,6-7,10-12,14H2,1-2H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/baegrjpejdsqtf-uhfffaoysa-n.1
title: C23H22
title: InChI=1S/C23H22/c1-2-4-20(5-3-1)16-23-17-21-11-10-18-6-8-19(9-7-18)12-14-22(23)15-13-21/h1-9,13,15,17H,10-12,14,16H2

description: This dataset contains experimental data from a sample (InChI=1S/C23H22/c1-2-4-20(5-3-1)16-23-17-21-11-10-18-6-8-19(9-7-18)12-14-22(23)15-13-21/h1-9,13,15,17H,10-12,14,16H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/baegrjpejdsqtf-uhfffaoysa-n/ir
title: IR (, InChI=1S/C23H22/c1-2-4-20(5-3-1)16-23-17-21-11-10-18-6-8-19(9-7-18)12-14-22(23)15-13-21/h1-9,13,15,17H,10-12,14,16H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 3009, 2946, 2924, 2904, 2890, 2850, 2364, 1891, 1591, 1490, 1449, 1436, 1411, 1245, 1204, 1177, 1143, 1072, 1028, 933, 894, 866, 795, 768, 732, 715, 698, 683, 652, 623, 613, 577, 564, 509, 479, 463, 402, 385 cm–1.
DOI: 10.14272/hksxvouaewpbky-uhfffaoysa-n.1
title: 5-bromo-2-hydroxy-3-methyl-6-propan-2-ylbenzaldehyde
title: InChI=1S/C11H13BrO2/c1-6(2)10-8(5-13)11(14)7(3)4-9(10)12/h4-6,14H,1-3H3

description: This dataset contains experimental data from a sample (5-bromo-2-hydroxy-3-methyl-6-propan-2-ylbenzaldehyde, InChI=1S/C11H13BrO2/c1-6(2)10-8(5-13)11(14)7(3)4-9(10)12/h4-6,14H,1-3H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/hksxvouaewpbky-uhfffaoysa-n/ir
title: IR (5-bromo-2-hydroxy-3-methyl-6-propan-2-ylbenzaldehyde, InChI=1S/C11H13BrO2/c1-6(2)10-8(5-13)11(14)7(3)4-9(10)12/h4-6,14H,1-3H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3053, 2975, 2928, 2878, 2364, 1615, 1458, 1442, 1415, 1378, 1343, 1293, 1265, 1235, 1203, 1142, 1105, 1038, 970, 907, 874, 786, 765, 718, 670, 613, 574, 516, 497, 453, 419, 405, 385 cm–1.
DOI: 10.14272/nxukkirugghakl-uhfffaoysa-n.1
title: 4-methoxy-2-methyl-5-propan-2-ylphenol
title: InChI=1S/C11H16O2/c1-7(2)9-6-10(12)8(3)5-11(9)13-4/h5-7,12H,1-4H3

description: This dataset contains experimental data from a sample (4-methoxy-2-methyl-5-propan-2-ylphenol, InChI=1S/C11H16O2/c1-7(2)9-6-10(12)8(3)5-11(9)13-4/h5-7,12H,1-4H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/nxukkirugghakl-uhfffaoysa-n/ir
title: IR (4-methoxy-2-methyl-5-propan-2-ylphenol, InChI=1S/C11H16O2/c1-7(2)9-6-10(12)8(3)5-11(9)13-4/h5-7,12H,1-4H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3373, 3274, 2996, 2959, 2932, 2868, 2833, 2364, 1623, 1587, 1514, 1458, 1407, 1383, 1361, 1330, 1290, 1271, 1234, 1198, 1173, 1143, 1106, 1060, 1048, 1004, 984, 899, 877, 867, 851, 815, 730, 705, 663, 657, 606, 595, 528, 499, 473, 429, 407, 385 cm–1.
DOI: 10.14272/qtdmmvrsqbvsoe-uhfffaoysa-n/ir
title: IR (, InChI=1S/C25H29NO3/c1-3-4-10-25(11-6-7-12-25)19-16-22(28-2)21-15-18(24(27)29-23(21)17-19)14-20-9-5-8-13-26-20/h5,8-9,13,15-17H,3-4,6-7,10-12,14H2,1-2H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 2953, 2928, 2870, 2860, 2363, 2339, 2325, 1715, 1613, 1589, 1568, 1493, 1460, 1434, 1415, 1377, 1351, 1290, 1252, 1180, 1111, 1052, 994, 942, 925, 894, 841, 766, 748, 737, 691, 679, 620, 605, 558, 494, 473, 404, 384 cm–1.
DOI: 10.14272/yewrzyhvihytqk-uhfffaoysa-n.1
title: C23H20O
title: InChI=1S/C23H20O/c24-16-20-9-13-22(14-10-20)23-15-19-6-5-17-1-3-18(4-2-17)7-11-21(23)12-8-19/h1-4,8-10,12-16H,5-7,11H2

description: This dataset contains experimental data from a sample (InChI=1S/C23H20O/c24-16-20-9-13-22(14-10-20)23-15-19-6-5-17-1-3-18(4-2-17)7-11-21(23)12-8-19/h1-4,8-10,12-16H,5-7,11H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/yewrzyhvihytqk-uhfffaoysa-n/ir
title: IR (, InChI=1S/C23H20O/c24-16-20-9-13-22(14-10-20)23-15-19-6-5-17-1-3-18(4-2-17)7-11-21(23)12-8-19/h1-4,8-10,12-16H,5-7,11H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 2924, 2895, 2851, 2810, 2723, 2363, 1703, 1601, 1565, 1500, 1475, 1458, 1435, 1412, 1398, 1380, 1363, 1300, 1208, 1164, 1103, 1091, 1033, 1014, 1000, 941, 905, 880, 853, 830, 822, 798, 734, 718, 710, 684, 654, 639, 629, 592, 558, 516, 494, 479, 459, 428, 384 cm–1.
DOI: 10.14272/amhqyecwfznvoq-uhfffaoysa-n.1
title: C13H14O2
title: InChI=1S/C13H14O2/c1-8(2)10-5-4-9(3)13-11(10)6-7-12(14)15-13/h4-8H,1-3H3

description: This dataset contains experimental data from a sample (InChI=1S/C13H14O2/c1-8(2)10-5-4-9(3)13-11(10)6-7-12(14)15-13/h4-8H,1-3H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/amhqyecwfznvoq-uhfffaoysa-n/ir
title: IR (, InChI=1S/C13H14O2/c1-8(2)10-5-4-9(3)13-11(10)6-7-12(14)15-13/h4-8H,1-3H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 2962, 2927, 2871, 2363, 1755, 1721, 1625, 1594, 1485, 1459, 1431, 1385, 1364, 1350, 1295, 1256, 1239, 1187, 1153, 1128, 1050, 999, 967, 899, 861, 824, 776, 739, 697, 677, 636, 595, 527, 499 cm–1.
DOI: 10.14272/qeunwfmxjupzpx-uhfffaoysa-n.1
title: C15H18O2
title: InChI=1S/C15H18O2/c1-5-11-8-13-12(9(2)3)7-6-10(4)14(13)17-15(11)16/h6-9H,5H2,1-4H3

description: This dataset contains experimental data from a sample (InChI=1S/C15H18O2/c1-5-11-8-13-12(9(2)3)7-6-10(4)14(13)17-15(11)16/h6-9H,5H2,1-4H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/qeunwfmxjupzpx-uhfffaoysa-n/ir
title: IR (, InChI=1S/C15H18O2/c1-5-11-8-13-12(9(2)3)7-6-10(4)14(13)17-15(11)16/h6-9H,5H2,1-4H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 2975, 2961, 2927, 2868, 2364, 1704, 1673, 1643, 1632, 1599, 1571, 1486, 1456, 1432, 1384, 1361, 1300, 1248, 1193, 1171, 1156, 1099, 1057, 1043, 1000, 973, 943, 932, 819, 783, 759, 715, 687, 636, 615, 552, 540, 497, 460, 416 cm–1.
DOI: 10.14272/upsrdiivihyxiy-uhfffaoysa-n.1
title: C21H23NO3
title: InChI=1S/C21H23NO3/c1-3-4-5-7-15-11-19(24-2)18-13-17(21(23)25-20(18)12-15)10-16-8-6-9-22-14-16/h6,8-9,11-14H,3-5,7,10H2,1-2H3

description: This dataset contains experimental data from a sample (InChI=1S/C21H23NO3/c1-3-4-5-7-15-11-19(24-2)18-13-17(21(23)25-20(18)12-15)10-16-8-6-9-22-14-16/h6,8-9,11-14H,3-5,7,10H2,1-2H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/upsrdiivihyxiy-uhfffaoysa-n/ir
title: IR (, InChI=1S/C21H23NO3/c1-3-4-5-7-15-11-19(24-2)18-13-17(21(23)25-20(18)12-15)10-16-8-6-9-22-14-16/h6,8-9,11-14H,3-5,7,10H2,1-2H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 2999, 2953, 2927, 2870, 2856, 2360, 1703, 1615, 1572, 1497, 1477, 1462, 1446, 1422, 1377, 1351, 1300, 1255, 1238, 1181, 1140, 1112, 1091, 1060, 1027, 1004, 941, 924, 870, 833, 790, 776, 741, 714, 694, 669, 630, 605, 571, 548, 540, 487, 402 cm–1.
DOI: 10.14272/yauwqnbfhytbbr-uhfffaoysa-n.1
title: C20H16N2O2
title: InChI=1S/C20H16N2O2/c23-17-2-1-3-19-16(17)11-13-10-12(4-5-18(13)24-19)14-6-8-21-20-15(14)7-9-22-20/h4-11,19H,1-3H2,(H,21,22)

description: This dataset contains experimental data from a sample (InChI=1S/C20H16N2O2/c23-17-2-1-3-19-16(17)11-13-10-12(4-5-18(13)24-19)14-6-8-21-20-15(14)7-9-22-20/h4-11,19H,1-3H2,(H,21,22)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/yauwqnbfhytbbr-uhfffaoysa-n/ir
title: IR (, InChI=1S/C20H16N2O2/c23-17-2-1-3-19-16(17)11-13-10-12(4-5-18(13)24-19)14-6-8-21-20-15(14)7-9-22-20/h4-11,19H,1-3H2,(H,21,22))

description: dataset for IR
      
      IR (ATR, ṽ) = 3140, 3077, 2949, 2921, 2871, 2850, 2772, 2360, 1673, 1595, 1578, 1557, 1497, 1479, 1451, 1395, 1343, 1300, 1285, 1266, 1248, 1224, 1190, 1130, 1111, 1082, 1055, 1021, 1000, 946, 925, 885, 840, 816, 799, 773, 749, 737, 681, 663, 649, 632, 605, 586, 575, 541, 520, 504, 460, 443, 398 cm–1.
DOI: 10.14272/qpchcptwjxrvtg-dtpncxjisa-m.1
title: C12H19ClOPt
title: InChI=1S/C12H19O.ClH.Pt/c1-10(2)12(13)11-8-6-4-3-5-7-9-11;;/h3-4,9-10,12H,5-8H2,1-2H3;1H;/q-1;;+2/p-1/b4-3-,11-9+;;

description: This dataset contains experimental data from a sample (InChI=1S/C12H19O.ClH.Pt/c1-10(2)12(13)11-8-6-4-3-5-7-9-11;;/h3-4,9-10,12H,5-8H2,1-2H3;1H;/q-1;;+2/p-1/b4-3-,11-9+;;).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/qpchcptwjxrvtg-dtpncxjisa-m/ir
title: IR (, InChI=1S/C12H19O.ClH.Pt/c1-10(2)12(13)11-8-6-4-3-5-7-9-11;;/h3-4,9-10,12H,5-8H2,1-2H3;1H;/q-1;;+2/p-1/b4-3-,11-9+;;)

description: dataset for IR
      
      IR (ATR, ṽ) = 3506, 2962, 2956, 2929, 2895, 2870, 2361, 2342, 1623, 1479, 1458, 1448, 1431, 1421, 1385, 1366, 1349, 1339, 1315, 1283, 1254, 1237, 1211, 1194, 1167, 1149, 1116, 1108, 1092, 1051, 1024, 1013, 983, 962, 952, 929, 904, 884, 866, 827, 805, 769, 731, 691, 669, 650, 636, 605, 572, 541, 528, 518, 479, 459, 418, 404, 385 cm–1.
DOI: 10.14272/qvznktrsmjdusi-uhfffaoysa-n.1
title: C24H24O7
title: InChI=1S/C24H24O7/c1-13-5-7-15(8-6-13)20-14(2)11-17(28-3)21-16(25)12-24(23(27)29-4,31-22(20)21)18-9-10-19(26)30-18/h5-8,11,18H,9-10,12H2,1-4H3

description: This dataset contains experimental data from a sample (InChI=1S/C24H24O7/c1-13-5-7-15(8-6-13)20-14(2)11-17(28-3)21-16(25)12-24(23(27)29-4,31-22(20)21)18-9-10-19(26)30-18/h5-8,11,18H,9-10,12H2,1-4H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/qvznktrsmjdusi-uhfffaoysa-n/ir
title: IR (, InChI=1S/C24H24O7/c1-13-5-7-15(8-6-13)20-14(2)11-17(28-3)21-16(25)12-24(23(27)29-4,31-22(20)21)18-9-10-19(26)30-18/h5-8,11,18H,9-10,12H2,1-4H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 2928, 2360, 2342, 1781, 1737, 1689, 1604, 1561, 1519, 1479, 1462, 1436, 1405, 1392, 1339, 1289, 1248, 1227, 1198, 1171, 1128, 1092, 1057, 1045, 1027, 1009, 993, 956, 931, 907, 863, 844, 833, 829, 776, 741, 728, 660, 639, 584, 554, 543, 510, 490, 446, 431, 419, 398, 385 cm–1.
DOI: 10.14272/bcoiudgkuyyxrx-uhfffaoysa-n.3
title: C17H14BrN
title: InChI=1S/C17H14BrN/c18-17-10-13-2-1-12-3-5-14(16(9-12)11-19)7-8-15(17)6-4-13/h3-6,9-10H,1-2,7-8H2

description: This dataset contains experimental data from a sample (InChI=1S/C17H14BrN/c18-17-10-13-2-1-12-3-5-14(16(9-12)11-19)7-8-15(17)6-4-13/h3-6,9-10H,1-2,7-8H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/hilnxgbhrivsod-ppmyxagcsa-n.1
title: (2S,3S,5S,8R,9S,10S,13S,14S)-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
title: InChI=1S/C19H30O3/c1-18-8-7-14-12(13(18)5-6-17(18)22)4-3-11-9-15(20)16(21)10-19(11,14)2/h11-16,20-21H,3-10H2,1-2H3/t11-,12-,13-,14-,15-,16-,18-,19-/m0/s1

description: This dataset contains experimental data from a sample ((2S,3S,5S,8R,9S,10S,13S,14S)-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one, InChI=1S/C19H30O3/c1-18-8-7-14-12(13(18)5-6-17(18)22)4-3-11-9-15(20)16(21)10-19(11,14)2/h11-16,20-21H,3-10H2,1-2H3/t11-,12-,13-,14-,15-,16-,18-,19-/m0/s1). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)