cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/znkzcvvaxnxyak-uhfffaoysa-n/ir.1
title: IR (, InChI=1S/C18H17BrN2O/c19-12-6-7-13-21-16-11-5-4-10-15(16)20-17(18(21)22)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 3064, 2962, 2952, 2941, 2936, 2885, 2363, 2340, 1643, 1599, 1582, 1574, 1493, 1485, 1465, 1455, 1443, 1426, 1366, 1341, 1317, 1296, 1271, 1255, 1242, 1220, 1174, 1149, 1132, 1068, 1045, 1027, 1001, 973, 942, 918, 894, 870, 850, 840, 805, 765, 752, 732, 711, 694, 673, 640, 618, 596, 567, 552, 531, 497, 465, 450, 435, 416, 407, 384 cm–1.
DOI: 10.14272/cvccyvwsthtzfm-uhfffaoysa-n.1
title: (4-bromo-5-methylthiophen-2-yl)boronic acid
title: InChI=1S/C5H6BBrO2S/c1-3-4(7)2-5(10-3)6(8)9/h2,8-9H,1H3

description: This dataset contains experimental data from a sample ((4-bromo-5-methylthiophen-2-yl)boronic acid, InChI=1S/C5H6BBrO2S/c1-3-4(7)2-5(10-3)6(8)9/h2,8-9H,1H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/cvccyvwsthtzfm-uhfffaoysa-n/ir
title: IR ((4-bromo-5-methylthiophen-2-yl)boronic acid, InChI=1S/C5H6BBrO2S/c1-3-4(7)2-5(10-3)6(8)9/h2,8-9H,1H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3200, 2914, 2851, 2360, 2342, 2258, 1523, 1449, 1377, 1334, 1272, 1193, 1153, 1084, 1028, 1003, 982, 915, 882, 849, 817, 798, 785, 696, 654, 591, 558, 492, 472, 385 cm–1.
DOI: 10.14272/hsjctvwopxuhna-uhfffaoysa-n.1
title: 4-[3,5-bis(4-sulfanylphenyl)phenyl]benzenethiol
title: InChI=1S/C24H18S3/c25-22-7-1-16(2-8-22)19-13-20(17-3-9-23(26)10-4-17)15-21(14-19)18-5-11-24(27)12-6-18/h1-15,25-27H

description: This dataset contains experimental data from a sample (4-[3,5-bis(4-sulfanylphenyl)phenyl]benzenethiol, InChI=1S/C24H18S3/c25-22-7-1-16(2-8-22)19-13-20(17-3-9-23(26)10-4-17)15-21(14-19)18-5-11-24(27)12-6-18/h1-15,25-27H).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/hsjctvwopxuhna-uhfffaoysa-n/ir
title: IR (4-[3,5-bis(4-sulfanylphenyl)phenyl]benzenethiol, InChI=1S/C24H18S3/c25-22-7-1-16(2-8-22)19-13-20(17-3-9-23(26)10-4-17)15-21(14-19)18-5-11-24(27)12-6-18/h1-15,25-27H)

description: dataset for IR
      
      IR (ATR, ṽ) = 3052, 3022, 2955, 2922, 2867, 2847, 2794, 2559, 2355, 2339, 2329, 2214, 2194, 2151, 2068, 2043, 2021, 1998, 1982, 1947, 1902, 1856, 1784, 1754, 1739, 1725, 1711, 1692, 1678, 1660, 1641, 1631, 1593, 1564, 1554, 1531, 1511, 1491, 1462, 1440, 1382, 1366, 1301, 1230, 1217, 1187, 1172, 1142, 1126, 1101, 1032, 1011, 964, 918, 901, 885, 812, 763, 732, 720, 699, 683, 638, 606, 567, 546, 506, 475, 442, 422 cm–1.
DOI: 10.14272/kjphpulvmpslet-uhfffaoysa-n.1
title: C19H22
title: InChI=1S/C19H22/c1-2-3-19-14-17-9-8-15-4-6-16(7-5-15)10-12-18(19)13-11-17/h4-7,11,13-14H,2-3,8-10,12H2,1H3

description: This dataset contains experimental data from a sample (InChI=1S/C19H22/c1-2-3-19-14-17-9-8-15-4-6-16(7-5-15)10-12-18(19)13-11-17/h4-7,11,13-14H,2-3,8-10,12H2,1H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/kjphpulvmpslet-uhfffaoysa-n/ir
title: IR (, InChI=1S/C19H22/c1-2-3-19-14-17-9-8-15-4-6-16(7-5-15)10-12-18(19)13-11-17/h4-7,11,13-14H,2-3,8-10,12H2,1H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3030, 3004, 2951, 2922, 2887, 2863, 2849, 2361, 2342, 1891, 1683, 1592, 1499, 1490, 1451, 1434, 1412, 1374, 1344, 1231, 1205, 1184, 1153, 1143, 1092, 1060, 1014, 939, 909, 866, 795, 759, 745, 715, 683, 669, 646, 602, 578, 530, 514, 494, 462, 422, 385 cm–1.
DOI: 10.14272/lfmmvpzbljznge-uhfffaoysa-n.1
title: 2,6-di(propan-2-yl)pyridine
title: InChI=1S/C11H17N/c1-8(2)10-6-5-7-11(12-10)9(3)4/h5-9H,1-4H3

description: This dataset contains experimental data from a sample (2,6-di(propan-2-yl)pyridine, InChI=1S/C11H17N/c1-8(2)10-6-5-7-11(12-10)9(3)4/h5-9H,1-4H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/lfmmvpzbljznge-uhfffaoysa-n/ir
title: IR (2,6-di(propan-2-yl)pyridine, InChI=1S/C11H17N/c1-8(2)10-6-5-7-11(12-10)9(3)4/h5-9H,1-4H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3061, 2961, 2926, 2906, 2871, 2359, 1741, 1727, 1711, 1692, 1660, 1639, 1590, 1576, 1531, 1513, 1470, 1448, 1378, 1360, 1323, 1305, 1232, 1209, 1201, 1164, 1099, 1087, 1050, 991, 956, 924, 883, 810, 748, 693, 593, 532, 512, 465, 414 cm–1.
DOI: 10.14272/nmdwdfarcpautb-uhfffaoysa-m.1
title: C35H44ClN5O3Si
title: InChI=1S/C35H44N5O3Si.ClH/c1-8-38(9-2)25-16-18-29-31(22-25)43-32-23-26(39(10-3)11-4)17-19-30(32)34(29)27-14-12-13-15-28(27)35(41)42-21-20-40-24-33(36-37-40)44(5,6)7;/h12-19,22-24H,8-11,20-21H2,1-7H3;1H/q+1;/p-1

description: This dataset contains experimental data from a sample (InChI=1S/C35H44N5O3Si.ClH/c1-8-38(9-2)25-16-18-29-31(22-25)43-32-23-26(39(10-3)11-4)17-19-30(32)34(29)27-14-12-13-15-28(27)35(41)42-21-20-40-24-33(36-37-40)44(5,6)7;/h12-19,22-24H,8-11,20-21H2,1-7H3;1H/q+1;/p-1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/nmdwdfarcpautb-uhfffaoysa-m/ir
title: IR (, InChI=1S/C35H44N5O3Si.ClH/c1-8-38(9-2)25-16-18-29-31(22-25)43-32-23-26(39(10-3)11-4)17-19-30(32)34(29)27-14-12-13-15-28(27)35(41)42-21-20-40-24-33(36-37-40)44(5,6)7;/h12-19,22-24H,8-11,20-21H2,1-7H3;1H/q+1;/p-1)

description: dataset for IR
      
      IR (ATR, ṽ) = 2968, 2929, 2904, 2897, 2871, 2363, 2139, 2105, 1720, 1646, 1584, 1528, 1507, 1480, 1463, 1409, 1394, 1333, 1269, 1244, 1196, 1177, 1128, 1071, 1045, 1007, 975, 922, 837, 823, 756, 731, 705, 681, 666, 620, 581, 545, 520, 493, 446, 438, 405, 385 cm–1.
DOI: 10.14272/pilkxvqlvgaejt-fbmgvbcbsa-n/ir
title: IR (, InChI=1S/C19H21NO2S2/c21-24(22,19-13-7-2-8-14-19)20-15-9-3-6-12-18(16-20)23-17-10-4-1-5-11-17/h1-2,4-5,7-8,10-11,13-14,16H,3,6,9,12,15H2/b18-16+)

description: dataset for IR
      
      IR (ATR, ṽ) = 3068, 3054, 3017, 2958, 2919, 2844, 2361, 1596, 1581, 1493, 1473, 1459, 1441, 1397, 1380, 1356, 1340, 1306, 1292, 1220, 1184, 1160, 1119, 1089, 1071, 1047, 1018, 975, 949, 933, 907, 868, 851, 803, 789, 747, 739, 708, 701, 686, 654, 591, 572, 548, 494, 439, 409, 387 cm–1.
DOI: 10.14272/puzxavhmxprprg-uhfffaoysa-n.1
title: 2,6-di(butan-2-yl)pyridine
title: InChI=1S/C13H21N/c1-5-10(3)12-8-7-9-13(14-12)11(4)6-2/h7-11H,5-6H2,1-4H3

description: This dataset contains experimental data from a sample (2,6-di(butan-2-yl)pyridine, InChI=1S/C13H21N/c1-5-10(3)12-8-7-9-13(14-12)11(4)6-2/h7-11H,5-6H2,1-4H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/rcialuqbbghoqx-buhfosprsa-n.1
title: C21H23NO2
title: InChI=1S/C21H23NO2/c1-22(2)14-13-19(23)20-17-9-7-15-3-5-16(6-4-15)8-10-18(12-11-17)21(20)24/h3-6,11-14,24H,7-10H2,1-2H3/b14-13+

description: This dataset contains experimental data from a sample ((E)-3-(dimethylamino)-1-(6-hydroxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)prop-2-en-1-one, InChI=1S/C21H23NO2/c1-22(2)14-13-19(23)20-17-9-7-15-3-5-16(6-4-15)8-10-18(12-11-17)21(20)24/h3-6,11-14,24H,7-10H2,1-2H3/b14-13+).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/rcialuqbbghoqx-buhfosprsa-n/ir
title: IR ((E)-3-(dimethylamino)-1-(6-hydroxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)prop-2-en-1-one, InChI=1S/C21H23NO2/c1-22(2)14-13-19(23)20-17-9-7-15-3-5-16(6-4-15)8-10-18(12-11-17)21(20)24/h3-6,11-14,24H,7-10H2,1-2H3/b14-13+)

description: dataset for IR
      
      IR (ATR, ṽ) = 3010, 2965, 2936, 2922, 2891, 2851, 2798, 2360, 2342, 2326, 1621, 1596, 1567, 1536, 1489, 1435, 1424, 1402, 1357, 1340, 1329, 1268, 1249, 1228, 1177, 1153, 1126, 1099, 1081, 1014, 977, 933, 878, 857, 795, 751, 735, 715, 691, 652, 601, 584, 574, 534, 507, 501, 459, 448, 421, 395, 382 cm–1.
DOI: 10.14272/ryabqtatldlrqx-uhfffaoysa-n.1
title: 5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
title: InChI=1S/C12H15NO5/c1-12(2,3)18-11(17)13-9-5-4-7(14)6-8(9)10(15)16/h4-6,14H,1-3H3,(H,13,17)(H,15,16)

description: This dataset contains experimental data from a sample (5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid, InChI=1S/C12H15NO5/c1-12(2,3)18-11(17)13-9-5-4-7(14)6-8(9)10(15)16/h4-6,14H,1-3H3,(H,13,17)(H,15,16)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/ryabqtatldlrqx-uhfffaoysa-n/ir
title: IR (5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid, InChI=1S/C12H15NO5/c1-12(2,3)18-11(17)13-9-5-4-7(14)6-8(9)10(15)16/h4-6,14H,1-3H3,(H,13,17)(H,15,16))

description: dataset for IR
      
      IR (ATR, ṽ) = 3422, 3319, 2979, 2941, 2873, 2361, 1759, 1691, 1663, 1626, 1589, 1523, 1456, 1412, 1392, 1370, 1303, 1276, 1249, 1235, 1211, 1147, 1089, 1051, 1028, 943, 902, 885, 836, 819, 781, 771, 735, 697, 673, 616, 586, 555, 530, 452, 429, 387 cm–1.
DOI: 10.14272/sfszmaiueuqota-adushdqvsa-n.1
title: ethyl (2S,4S,6S)-4,6-bis(1H-indol-3-yl)-1-phenylpiperidine-2-carboxylate
title: InChI=1S/C30H29N3O2/c1-2-35-30(34)29-17-20(24-18-31-26-14-8-6-12-22(24)26)16-28(33(29)21-10-4-3-5-11-21)25-19-32-27-15-9-7-13-23(25)27/h3-15,18-20,28-29,31-32H,2,16-17H2,1H3/t20-,28-,29-/m0/s1

description: This dataset contains experimental data from a sample (ethyl (2S,4S,6S)-4,6-bis(1H-indol-3-yl)-1-phenylpiperidine-2-carboxylate, InChI=1S/C30H29N3O2/c1-2-35-30(34)29-17-20(24-18-31-26-14-8-6-12-22(24)26)16-28(33(29)21-10-4-3-5-11-21)25-19-32-27-15-9-7-13-23(25)27/h3-15,18-20,28-29,31-32H,2,16-17H2,1H3/t20-,28-,29-/m0/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/sfszmaiueuqota-adushdqvsa-n/ir.1
title: IR (ethyl (2S,4S,6S)-4,6-bis(1H-indol-3-yl)-1-phenylpiperidine-2-carboxylate, InChI=1S/C30H29N3O2/c1-2-35-30(34)29-17-20(24-18-31-26-14-8-6-12-22(24)26)16-28(33(29)21-10-4-3-5-11-21)25-19-32-27-15-9-7-13-23(25)27/h3-15,18-20,28-29,31-32H,2,16-17H2,1H3/t20-,28-,29-/m0/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 3411, 3053, 3034, 2978, 2928, 2851, 2534, 2361, 2342, 1701, 1595, 1551, 1493, 1453, 1421, 1387, 1364, 1353, 1330, 1276, 1242, 1224, 1176, 1122, 1094, 1052, 1023, 1010, 953, 932, 915, 847, 812, 764, 739, 696, 669, 650, 618, 601, 568, 551, 480, 424, 385 cm–1.
DOI: 10.14272/szcnbljrynqrgt-uhfffaoysa-n.1
title: C27H29NO
title: InChI=1S/C27H29NO/c1-2-3-4-5-6-11-19-28-20-25(23-16-9-10-18-26(23)28)27(29)24-17-12-14-21-13-7-8-15-22(21)24/h7-10,12-18,20H,2-6,11,19H2,1H3

description: This dataset contains experimental data from a sample (InChI=1S/C27H29NO/c1-2-3-4-5-6-11-19-28-20-25(23-16-9-10-18-26(23)28)27(29)24-17-12-14-21-13-7-8-15-22(21)24/h7-10,12-18,20H,2-6,11,19H2,1H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/uhyddoifnomwmg-uhfffaoysa-m.1
title: C41H41BrNO4P
title: InChI=1S/C41H41NO4P.BrH/c1-2-45-40(43)30-42(41(44)46-31-39-37-26-14-12-24-35(37)36-25-13-15-27-38(36)39)28-16-17-29-47(32-18-6-3-7-19-32,33-20-8-4-9-21-33)34-22-10-5-11-23-34;/h3-15,18-27,39H,2,16-17,28-31H2,1H3;1H/q+1;/p-1

description: This dataset contains experimental data from a sample (InChI=1S/C41H41NO4P.BrH/c1-2-45-40(43)30-42(41(44)46-31-39-37-26-14-12-24-35(37)36-25-13-15-27-38(36)39)28-16-17-29-47(32-18-6-3-7-19-32,33-20-8-4-9-21-33)34-22-10-5-11-23-34;/h3-15,18-27,39H,2,16-17,28-31H2,1H3;1H/q+1;/p-1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/ukesrvdojnbklq-uhfffaoysa-n.1
title: C5H3ClI2N2
title: InChI=1S/C5H3ClI2N2/c6-5-4(9)2(7)1-3(8)10-5/h1H,9H2

description: This dataset contains experimental data from a sample (InChI=1S/C5H3ClI2N2/c6-5-4(9)2(7)1-3(8)10-5/h1H,9H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/ukesrvdojnbklq-uhfffaoysa-n/ir
title: IR (, InChI=1S/C5H3ClI2N2/c6-5-4(9)2(7)1-3(8)10-5/h1H,9H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 2955, 2922, 2871, 2851, 2533, 2359, 2341, 2247, 2182, 2155, 2139, 2059, 2021, 1947, 1874, 1813, 1786, 1756, 1739, 1727, 1713, 1690, 1678, 1662, 1641, 1631, 1613, 1548, 1527, 1517, 1482, 1462, 1452, 1444, 1409, 1376, 1327, 1230, 1217, 1207, 1101, 1075, 1036, 1024, 838, 805, 746, 697, 667, 653, 616, 593, 577, 500, 485, 465, 428, 412 cm–1.
DOI: 10.14272/zhgmvvirgfsbiv-uhfffaoysa-n.1
title: C16H15NO6
title: InChI=1S/C16H15NO6/c1-21-12-5-3-11(4-6-12)10-23-13-7-8-15(17(19)20)14(9-13)16(18)22-2/h3-9H,10H2,1-2H3

description: This dataset contains experimental data from a sample (InChI=1S/C16H15NO6/c1-21-12-5-3-11(4-6-12)10-23-13-7-8-15(17(19)20)14(9-13)16(18)22-2/h3-9H,10H2,1-2H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/zhgmvvirgfsbiv-uhfffaoysa-n/ir
title: IR (, InChI=1S/C16H15NO6/c1-21-12-5-3-11(4-6-12)10-23-13-7-8-15(17(19)20)14(9-13)16(18)22-2/h3-9H,10H2,1-2H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3454, 3110, 3077, 3048, 3038, 3002, 2969, 2948, 2908, 2887, 2857, 2840, 2628, 2559, 2469, 2371, 2320, 2041, 1929, 1862, 1737, 1692, 1641, 1611, 1590, 1548, 1513, 1486, 1466, 1436, 1413, 1391, 1346, 1332, 1305, 1291, 1240, 1185, 1172, 1132, 1111, 1060, 1028, 989, 977, 932, 909, 875, 856, 844, 828, 816, 799, 771, 763, 756, 718, 693, 671, 655, 638, 620, 573, 553, 522, 475, 453, 414 cm–1.
DOI: 10.14272/baibhohksyvvcm-uhfffaoysa-n.4
title: C17H16O
title: InChI=1S/C17H16O/c18-12-17-11-15-6-5-13-1-3-14(4-2-13)7-9-16(17)10-8-15/h1-4,8,10-12H,5-7,9H2

description: This dataset contains experimental data from a sample (tricyclo[8.2.2.2^{4,7}]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbaldehyde, InChI=1S/C17H16O/c18-12-17-11-15-6-5-13-1-3-14(4-2-13)7-9-16(17)10-8-15/h1-4,8,10-12H,5-7,9H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/baibhohksyvvcm-uhfffaoysa-n/ir.3
title: IR (tricyclo[8.2.2.2^{4,7}]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbaldehyde, InChI=1S/C17H16O/c18-12-17-11-15-6-5-13-1-3-14(4-2-13)7-9-16(17)10-8-15/h1-4,8,10-12H,5-7,9H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 3735, 3037, 3012, 2955, 2922, 2890, 2850, 2759, 2361, 2342, 2048, 1892, 1674, 1588, 1554, 1496, 1489, 1436, 1411, 1395, 1323, 1285, 1227, 1205, 1180, 1160, 1143, 1116, 1102, 1006, 977, 965, 936, 908, 874, 816, 796, 773, 742, 718, 701, 669, 657, 636, 620, 577, 547, 517, 497, 465, 452, 435, 422, 409, 397, 385 cm–1.
DOI: 10.14272/bmiqcmmqlwbyiu-uhfffaoysa-n.1
title: C18H18O
title: InChI=1S/C18H18O/c1-13(19)18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-12H,6-8,10H2,1H3

description: This dataset contains experimental data from a sample (1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanone, InChI=1S/C18H18O/c1-13(19)18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-12H,6-8,10H2,1H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/bmiqcmmqlwbyiu-uhfffaoysa-n/ir
title: IR (1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanone, InChI=1S/C18H18O/c1-13(19)18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-12H,6-8,10H2,1H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3587, 3033, 3012, 2978, 2956, 2922, 2888, 2850, 2757, 2361, 2343, 2187, 2136, 1894, 1674, 1588, 1554, 1496, 1489, 1438, 1411, 1323, 1285, 1227, 1205, 1180, 1145, 1115, 1102, 1006, 965, 939, 908, 874, 796, 773, 742, 718, 701, 657, 636, 620, 577, 517, 497, 465, 450, 433, 385 cm–1.
DOI: 10.14272/jagrarzqfsnbfr-uhfffaoysa-n.1
title: C19H23BO4
title: InChI=1S/C19H23BO4/c1-18(2)19(3,4)24-20(23-18)13-8-9-16-12(10-13)11-14-15(21)6-5-7-17(14)22-16/h6,8-11,17,21H,5,7H2,1-4H3

description: This dataset contains experimental data from a sample (InChI=1S/C19H23BO4/c1-18(2)19(3,4)24-20(23-18)13-8-9-16-12(10-13)11-14-15(21)6-5-7-17(14)22-16/h6,8-11,17,21H,5,7H2,1-4H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/lwoicrrdwhfjth-uhfffaoysa-n.1
title: C12H16S2
title: InChI=1S/C12H16S2/c1-2-4-11(5-3-1)6-7-12-8-13-10-14-9-12/h1-5,12H,6-10H2

description: This dataset contains experimental data from a sample (InChI=1S/C12H16S2/c1-2-4-11(5-3-1)6-7-12-8-13-10-14-9-12/h1-5,12H,6-10H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/lwoicrrdwhfjth-uhfffaoysa-n/ir
title: IR (, InChI=1S/C12H16S2/c1-2-4-11(5-3-1)6-7-12-8-13-10-14-9-12/h1-5,12H,6-10H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 3060, 3026, 3003, 2953, 2932, 2908, 2894, 2884, 2844, 2800, 2765, 2367, 2184, 1963, 1946, 1890, 1873, 1802, 1749, 1735, 1602, 1594, 1494, 1452, 1424, 1407, 1384, 1356, 1340, 1315, 1290, 1255, 1228, 1184, 1169, 1143, 1071, 1047, 1028, 1009, 980, 942, 905, 887, 849, 812, 803, 773, 745, 731, 713, 696, 670, 620, 596, 503, 469, 422 cm–1.
DOI: 10.14272/pfdvyqwnlkfaee-uhfffaoysa-n.1
title: C18H20F3N3O
title: InChI=1S/C18H20F3N3O/c1-5-6-7-11-24-14-12(9-8-10-13(14)18(19,20)21)15(23-24)22-16(25)17(2,3)4/h1,8-10H,6-7,11H2,2-4H3,(H,22,23,25)

description: This dataset contains experimental data from a sample (InChI=1S/C18H20F3N3O/c1-5-6-7-11-24-14-12(9-8-10-13(14)18(19,20)21)15(23-24)22-16(25)17(2,3)4/h1,8-10H,6-7,11H2,2-4H3,(H,22,23,25)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/pfdvyqwnlkfaee-uhfffaoysa-n/ir
title: IR (, InChI=1S/C18H20F3N3O/c1-5-6-7-11-24-14-12(9-8-10-13(14)18(19,20)21)15(23-24)22-16(25)17(2,3)4/h1,8-10H,6-7,11H2,2-4H3,(H,22,23,25))

description: dataset for IR
      
      IR (ATR, ṽ) = 3293, 3285, 2963, 2925, 2910, 2868, 2361, 2336, 1669, 1653, 1615, 1582, 1531, 1506, 1479, 1459, 1448, 1411, 1377, 1367, 1326, 1298, 1261, 1228, 1214, 1191, 1171, 1159, 1146, 1116, 1102, 1061, 1035, 1026, 1010, 987, 926, 888, 829, 812, 800, 765, 744, 728, 714, 670, 640, 598, 586, 577, 534, 510, 460, 421, 384 cm–1.
DOI: 10.14272/puzxavhmxprprg-uhfffaoysa-n/ir
title: IR (2,6-di(butan-2-yl)pyridine, InChI=1S/C13H21N/c1-5-10(3)12-8-7-9-13(14-12)11(4)6-2/h7-11H,5-6H2,1-4H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3059, 2961, 2930, 2873, 2361, 2139, 1949, 1819, 1741, 1727, 1709, 1688, 1660, 1639, 1588, 1574, 1533, 1511, 1462, 1448, 1376, 1368, 1325, 1289, 1268, 1223, 1205, 1191, 1160, 1091, 1060, 1017, 1003, 958, 899, 812, 791, 779, 748, 624, 489, 445, 428 cm–1.
DOI: 10.14272/qokjnfwccdtpfa-uhfffaoysa-n.1
title: C20H28O3
title: InChI=1S/C20H28O3/c1-6-7-8-9-10-15-12-16-18(13(2)3)17(22-5)11-14(4)19(16)23-20(15)21/h11-13H,6-10H2,1-5H3

description: This dataset contains experimental data from a sample (InChI=1S/C20H28O3/c1-6-7-8-9-10-15-12-16-18(13(2)3)17(22-5)11-14(4)19(16)23-20(15)21/h11-13H,6-10H2,1-5H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/qokjnfwccdtpfa-uhfffaoysa-n/ir
title: IR (, InChI=1S/C20H28O3/c1-6-7-8-9-10-15-12-16-18(13(2)3)17(22-5)11-14(4)19(16)23-20(15)21/h11-13H,6-10H2,1-5H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3737, 3089, 2995, 2953, 2925, 2870, 2849, 2361, 2342, 1704, 1596, 1581, 1458, 1388, 1377, 1358, 1336, 1312, 1302, 1252, 1227, 1200, 1179, 1170, 1139, 1119, 1088, 1072, 1052, 1014, 994, 938, 918, 880, 846, 816, 788, 772, 755, 718, 683, 670, 654, 642, 598, 561, 518, 473, 435, 419, 397, 385, 375 cm–1.
DOI: 10.14272/qxarzufsxguokm-xutluupisa-n.1
title: C24H24O2S4
title: InChI=1S/C24H24O2S4/c1-2-26-22(25)21(19(23-27-13-14-28-23)17-9-5-3-6-10-17)20(24-29-15-16-30-24)18-11-7-4-8-12-18/h3-12,23H,2,13-16H2,1H3/b21-19+

description: This dataset contains experimental data from a sample (InChI=1S/C24H24O2S4/c1-2-26-22(25)21(19(23-27-13-14-28-23)17-9-5-3-6-10-17)20(24-29-15-16-30-24)18-11-7-4-8-12-18/h3-12,23H,2,13-16H2,1H3/b21-19+).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/qxarzufsxguokm-xutluupisa-n/ir
title: IR (, InChI=1S/C24H24O2S4/c1-2-26-22(25)21(19(23-27-13-14-28-23)17-9-5-3-6-10-17)20(24-29-15-16-30-24)18-11-7-4-8-12-18/h3-12,23H,2,13-16H2,1H3/b21-19+)

description: dataset for IR
      
      IR (ATR, ṽ) = 3075, 3053, 3024, 3014, 2975, 2924, 2829, 2361, 2343, 1730, 1595, 1575, 1489, 1438, 1419, 1388, 1366, 1299, 1278, 1239, 1171, 1153, 1089, 1069, 1028, 1020, 980, 936, 918, 887, 849, 752, 698, 616, 596, 568, 538, 492, 433, 395, 384 cm–1.
DOI: 10.14272/szcnbljrynqrgt-uhfffaoysa-n/ir
title: IR (, InChI=1S/C27H29NO/c1-2-3-4-5-6-11-19-28-20-25(23-16-9-10-18-26(23)28)27(29)24-17-12-14-21-13-7-8-15-22(21)24/h7-10,12-18,20H,2-6,11,19H2,1H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3043, 2948, 2925, 2868, 2850, 2361, 2342, 1625, 1611, 1591, 1574, 1520, 1507, 1483, 1460, 1451, 1434, 1391, 1374, 1354, 1341, 1271, 1224, 1191, 1180, 1170, 1126, 1109, 1077, 1060, 1010, 977, 958, 935, 921, 887, 868, 847, 812, 789, 776, 741, 727, 667, 640, 598, 584, 568, 516, 504, 466, 452, 428, 416, 397, 385, 375 cm–1.
DOI: 10.14272/uapjkejwopojjy-uhfffaoysa-n.1
title: methyl 5-methoxy-2-nitrobenzoate
title: InChI=1S/C9H9NO5/c1-14-6-3-4-8(10(12)13)7(5-6)9(11)15-2/h3-5H,1-2H3

description: This dataset contains experimental data from a sample (methyl 5-methoxy-2-nitrobenzoate, InChI=1S/C9H9NO5/c1-14-6-3-4-8(10(12)13)7(5-6)9(11)15-2/h3-5H,1-2H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/uapjkejwopojjy-uhfffaoysa-n/ir
title: IR (methyl 5-methoxy-2-nitrobenzoate, InChI=1S/C9H9NO5/c1-14-6-3-4-8(10(12)13)7(5-6)9(11)15-2/h3-5H,1-2H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3009, 2952, 2840, 2360, 2342, 1732, 1616, 1582, 1517, 1487, 1458, 1446, 1434, 1336, 1295, 1235, 1184, 1154, 1129, 1064, 1026, 972, 895, 878, 840, 792, 756, 694, 669, 622, 565, 459, 384 cm–1.
DOI: 10.14272/uhugxcrcenzfrz-uhfffaoysa-n.1
title: C18H20O2
title: InChI=1S/C18H20O2/c1-19-13-20-18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-12H,6-8,10,13H2,1H3

description: This dataset contains experimental data from a sample (5-(methoxymethoxy)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene, InChI=1S/C18H20O2/c1-19-13-20-18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-12H,6-8,10,13H2,1H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/uhugxcrcenzfrz-uhfffaoysa-n/ir
title: IR (5-(methoxymethoxy)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene, InChI=1S/C18H20O2/c1-19-13-20-18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-12H,6-8,10,13H2,1H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3065, 3009, 2955, 2927, 2893, 2853, 2786, 2366, 1887, 1686, 1591, 1564, 1492, 1468, 1452, 1432, 1421, 1395, 1320, 1310, 1279, 1235, 1205, 1162, 1146, 1111, 1091, 1072, 1010, 965, 942, 925, 890, 861, 812, 796, 744, 724, 715, 687, 664, 629, 592, 545, 530, 503, 489, 456, 409, 387 cm–1.
DOI: 10.14272/unczogoedvqsfl-uhfffaoysa-n.1
title: C24H19NO
title: InChI=1S/C24H19NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h1,4-7,9-15,17H,3,8,16H2

description: This dataset contains experimental data from a sample (InChI=1S/C24H19NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h1,4-7,9-15,17H,3,8,16H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/unczogoedvqsfl-uhfffaoysa-n/ir
title: IR (, InChI=1S/C24H19NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h1,4-7,9-15,17H,3,8,16H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 3288, 3104, 3051, 3046, 2936, 2361, 2342, 1625, 1608, 1591, 1575, 1519, 1485, 1463, 1434, 1392, 1375, 1339, 1316, 1273, 1254, 1232, 1201, 1166, 1136, 1118, 1081, 1058, 1013, 976, 938, 907, 887, 864, 812, 788, 748, 669, 642, 598, 574, 548, 514, 452, 428, 398 cm–1.
DOI: 10.14272/vaozkyyiozfkkz-uhfffaoysa-n.1
title: 6-hydroxy-3,8-dimethyl-5-propan-2-ylchromen-2-one
title: InChI=1S/C14H16O3/c1-7(2)12-10-5-9(4)14(16)17-13(10)8(3)6-11(12)15/h5-7,15H,1-4H3

description: This dataset contains experimental data from a sample (6-hydroxy-3,8-dimethyl-5-propan-2-ylchromen-2-one, InChI=1S/C14H16O3/c1-7(2)12-10-5-9(4)14(16)17-13(10)8(3)6-11(12)15/h5-7,15H,1-4H3).
      The datasets from the following experiments are available:
      
      IR