cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/jtlouxxzzffbbw-gqctyliasa-n/ir.1
title: IR (methyl (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate, InChI=1S/C11H12O4/c1-14-10-5-3-8(7-9(10)12)4-6-11(13)15-2/h3-7,12H,1-2H3/b6-4+)

description: dataset for IR
      
      IR (ATR, ṽ) = 3395, 3391, 3008, 2955, 2842, 2359, 1713, 1635, 1613, 1582, 1507, 1456, 1442, 1431, 1356, 1309, 1260, 1230, 1191, 1164, 1154, 1126, 1022, 1001, 973, 930, 914, 865, 850, 803, 773, 759, 734, 706, 610, 559, 530, 500, 485, 447 cm–1.
DOI: 10.14272/oytrvusurxytdm-gulpdurksa-n.1
title: C30H28FN3O2
title: InChI=1S/C30H28FN3O2/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/C30H28FN3O2/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/oytrvusurxytdm-gulpdurksa-n/ir
title: IR (, InChI=1S/C30H28FN3O2/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) = 3391, 2921, 2853, 2521, 2361, 2342, 1710, 1504, 1475, 1451, 1419, 1367, 1354, 1339, 1296, 1279, 1239, 1211, 1188, 1154, 1130, 1115, 1094, 1041, 1018, 1006, 955, 929, 901, 851, 832, 815, 805, 773, 744, 720, 710, 669, 649, 619, 591, 560, 547, 517, 500, 475, 459, 438, 419, 405, 397, 384, 378 cm–1.
DOI: 10.14272/qsauzeuihomqfh-uhfffaoysa-n.2
title: C22H21N3O
title: InChI=1S/C22H21N3O/c1-2-3-15-25-20-14-7-6-12-19(20)21(24-25)23-22(26)18-13-8-10-16-9-4-5-11-17(16)18/h4-14H,2-3,15H2,1H3,(H,23,24,26)

description: This dataset contains experimental data from a sample (InChI=1S/C22H21N3O/c1-2-3-15-25-20-14-7-6-12-19(20)21(24-25)23-22(26)18-13-8-10-16-9-4-5-11-17(16)18/h4-14H,2-3,15H2,1H3,(H,23,24,26)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/qsauzeuihomqfh-uhfffaoysa-n/ir.1
title: IR (, InChI=1S/C22H21N3O/c1-2-3-15-25-20-14-7-6-12-19(20)21(24-25)23-22(26)18-13-8-10-16-9-4-5-11-17(16)18/h4-14H,2-3,15H2,1H3,(H,23,24,26))

description: dataset for IR
      
      IR (ATR, ṽ) = 3222, 3185, 3055, 3014, 2959, 2926, 2871, 2857, 1650, 1615, 1593, 1578, 1533, 1507, 1495, 1484, 1462, 1438, 1429, 1409, 1362, 1352, 1317, 1287, 1254, 1242, 1205, 1195, 1164, 1152, 1140, 1128, 1109, 1077, 1024, 1005, 901, 879, 865, 836, 805, 783, 767, 734, 695, 679, 663, 650, 616, 585, 555, 536, 514, 465, 442, 428, 410 cm–1.
DOI: 10.14272/ssinpnynpjqrhw-uhfffaoysa-n.2
title: C26H29N3O
title: InChI=1S/C26H29N3O/c1-3-5-18-28(26(30)22-16-11-13-20-12-7-8-14-21(20)22)25-23-15-9-10-17-24(23)29(27-25)19-6-4-2/h7-17H,3-6,18-19H2,1-2H3

description: This dataset contains experimental data from a sample (InChI=1S/C26H29N3O/c1-3-5-18-28(26(30)22-16-11-13-20-12-7-8-14-21(20)22)25-23-15-9-10-17-24(23)29(27-25)19-6-4-2/h7-17H,3-6,18-19H2,1-2H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/ssinpnynpjqrhw-uhfffaoysa-n/ir.1
title: IR (, InChI=1S/C26H29N3O/c1-3-5-18-28(26(30)22-16-11-13-20-12-7-8-14-21(20)22)25-23-15-9-10-17-24(23)29(27-25)19-6-4-2/h7-17H,3-6,18-19H2,1-2H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3055, 2957, 2930, 2871, 1650, 1615, 1593, 1578, 1495, 1462, 1440, 1401, 1376, 1354, 1342, 1297, 1256, 1238, 1203, 1154, 1130, 1113, 1073, 1015, 1005, 967, 940, 879, 863, 799, 779, 744, 687, 665, 642, 620, 604, 583, 573, 540, 508, 469, 457, 432 cm–1.
DOI: 10.14272/wsvjcwuivrgddw-uwljeejtsa-n.1
title: C14H17NO
title: InChI=1S/C14H17NO/c16-14(13-10-6-7-11-15-13)12-8-4-2-1-3-5-9-12/h1-2,6-7,9-11,14,16H,3-5,8H2/b2-1-,12-9+

description: This dataset contains experimental data from a sample (InChI=1S/C14H17NO/c16-14(13-10-6-7-11-15-13)12-8-4-2-1-3-5-9-12/h1-2,6-7,9-11,14,16H,3-5,8H2/b2-1-,12-9+).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/wsvjcwuivrgddw-uwljeejtsa-n/ir
title: IR (, InChI=1S/C14H17NO/c16-14(13-10-6-7-11-15-13)12-8-4-2-1-3-5-9-12/h1-2,6-7,9-11,14,16H,3-5,8H2/b2-1-,12-9+)

description: dataset for IR
      
      IR (ATR, ṽ) = 3380, 3060, 3009, 2938, 2919, 2880, 2832, 2360, 2340, 1715, 1655, 1592, 1570, 1543, 1485, 1472, 1432, 1395, 1307, 1282, 1203, 1164, 1146, 1102, 1067, 1048, 1031, 1000, 959, 914, 902, 877, 843, 829, 800, 778, 749, 713, 679, 667, 649, 623, 574, 555, 516, 499, 459, 445, 419, 405, 385 cm–1.
DOI: 10.3886/e110264v2
title: Virtual Reality for Management of Pain in Hospitalized Patients: A Randomized Comparative Effectiveness Trial

description: Objectives: Therapeutic virtual reality (VR) has emerged as an
effective, drug-free tool for pain management, but there is a lack of randomized,
controlled data evaluating its effectiveness in hospitalized patients. We
sought to measure the impact of on-demand VR versus “health and wellness”
television programming for pain in hospitalized patients.

<br>Methods: We performed a prospective, randomized,
comparative effectiveness trial in hospitalized patients with an average pain
score of &gt;3 out of 10 points. Patients in
the experimental group received a library of 21 VR experiences administered using
the Samsung Gear Oculus headset; control patients viewed specialized television
programming to promote health and wellness. Clinical staff followed usual care;
study interventions were not protocolized. The primary outcome was
patient-reported pain using a numeric rating scale, as recorded by nursing
staff during usual care. Pre- and post-intervention pain scores were compared immediately
after initial treatment and after 48- and 72-hours.
DOI: 10.14272/aqejhfimrxvfan-uhfffaoysa-n/ir
title: IR (, InChI=1S/C20H21NO/c1-2-3-13-21-15-18(17-11-7-8-12-19(17)21)20(22)14-16-9-5-4-6-10-16/h4-12,15H,2-3,13-14H2,1H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3115, 3054, 3043, 3027, 2956, 2928, 2871, 2361, 2343, 1625, 1612, 1574, 1527, 1492, 1483, 1463, 1453, 1435, 1384, 1339, 1285, 1259, 1235, 1205, 1183, 1154, 1130, 1116, 1105, 1075, 1052, 1030, 1010, 953, 924, 914, 874, 851, 843, 809, 802, 775, 739, 718, 696, 671, 643, 612, 599, 579, 552, 521, 506, 479, 428, 408, 397, 385 cm–1.
DOI: 10.14272/bqldyarbqzeeiu-uhfffaoysa-n.1
title: 2-(3,4,5-trifluorophenyl)-1,3-benzothiazole
title: InChI=1S/C13H6F3NS/c14-8-5-7(6-9(15)12(8)16)13-17-10-3-1-2-4-11(10)18-13/h1-6H

description: This dataset contains experimental data from a sample (2-(3,4,5-trifluorophenyl)-1,3-benzothiazole, InChI=1S/C13H6F3NS/c14-8-5-7(6-9(15)12(8)16)13-17-10-3-1-2-4-11(10)18-13/h1-6H).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/bqldyarbqzeeiu-uhfffaoysa-n/ir
title: IR (2-(3,4,5-trifluorophenyl)-1,3-benzothiazole, InChI=1S/C13H6F3NS/c14-8-5-7(6-9(15)12(8)16)13-17-10-3-1-2-4-11(10)18-13/h1-6H)

description: dataset for IR
      
      IR (ATR, ṽ) = 1625, 1603, 1556, 1535, 1493, 1427, 1350, 1309, 1274, 1244, 1203, 1172, 1160, 1121, 1042, 1026, 942, 895, 871, 842, 824, 756, 746, 728, 708, 701, 657, 610, 581, 518, 434 cm–1.
DOI: 10.14272/bsicpvukezxnlc-uhfffaoysa-n.1
title: C14H12O6
title: InChI=1S/C14H12O6/c1-7-4-10(19-8(2)15)13-9(16)6-12(14(17)18-3)20-11(13)5-7/h4-6H,1-3H3

description: This dataset contains experimental data from a sample (InChI=1S/C14H12O6/c1-7-4-10(19-8(2)15)13-9(16)6-12(14(17)18-3)20-11(13)5-7/h4-6H,1-3H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/bsicpvukezxnlc-uhfffaoysa-n/ir
title: IR (, InChI=1S/C14H12O6/c1-7-4-10(19-8(2)15)13-9(16)6-12(14(17)18-3)20-11(13)5-7/h4-6H,1-3H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3084, 2959, 2361, 2342, 1764, 1737, 1655, 1635, 1621, 1558, 1477, 1443, 1417, 1383, 1366, 1336, 1265, 1196, 1150, 1105, 1085, 1048, 1017, 1003, 959, 901, 867, 840, 802, 788, 772, 720, 711, 669, 636, 609, 594, 579, 558, 548, 516, 493, 421, 387 cm–1.
DOI: 10.14272/bzvjuwydemojmh-uhfffaoysa-n.1
title: ethyl 3-iodo-1H-indole-2-carboxylate
title: InChI=1S/C11H10INO2/c1-2-15-11(14)10-9(12)7-5-3-4-6-8(7)13-10/h3-6,13H,2H2,1H3

description: This dataset contains experimental data from a sample (ethyl 3-iodo-1H-indole-2-carboxylate, InChI=1S/C11H10INO2/c1-2-15-11(14)10-9(12)7-5-3-4-6-8(7)13-10/h3-6,13H,2H2,1H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/bzvjuwydemojmh-uhfffaoysa-n/ir
title: IR (ethyl 3-iodo-1H-indole-2-carboxylate, InChI=1S/C11H10INO2/c1-2-15-11(14)10-9(12)7-5-3-4-6-8(7)13-10/h3-6,13H,2H2,1H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3369, 3291, 3230, 2981, 1682, 1615, 1568, 1505, 1470, 1442, 1417, 1397, 1376, 1366, 1327, 1301, 1254, 1223, 1193, 1160, 1142, 1109, 1028, 1007, 932, 907, 881, 858, 773, 754, 740, 683, 634, 599, 565, 430 cm–1.
DOI: 10.14272/cdqfxayxzsdnaw-uhfffaoysa-n.1
title: N,3,5-trimethoxy-N-methylbenzamide
title: InChI=1S/C11H15NO4/c1-12(16-4)11(13)8-5-9(14-2)7-10(6-8)15-3/h5-7H,1-4H3

description: This dataset contains experimental data from a sample (N,3,5-trimethoxy-N-methylbenzamide, InChI=1S/C11H15NO4/c1-12(16-4)11(13)8-5-9(14-2)7-10(6-8)15-3/h5-7H,1-4H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/cdqfxayxzsdnaw-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (N,3,5-trimethoxy-N-methylbenzamide)
title: InChI=1S/C11H15NO4/c1-12(16-4)11(13)8-5-9(14-2)7-10(6-8)15-3/h5-7H,1-4H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3000, 2963, 2936, 2839, 2361, 2342, 1717, 1646, 1589, 1455, 1424, 1373, 1340, 1312, 1292, 1254, 1203, 1153, 1061, 1045, 990, 926, 846, 802, 748, 688, 626, 574, 540, 465, 428, 385 cm–1.
DOI: 10.14272/hzwpjazirzfcgx-uhfffaoysa-n.1
title: 4-hydroxy-2,6-dimethoxybenzaldehyde
title: InChI=1S/C9H10O4/c1-12-8-3-6(11)4-9(13-2)7(8)5-10/h3-5,11H,1-2H3

description: This dataset contains experimental data from a sample (4-hydroxy-2,6-dimethoxybenzaldehyde, InChI=1S/C9H10O4/c1-12-8-3-6(11)4-9(13-2)7(8)5-10/h3-5,11H,1-2H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/hzwpjazirzfcgx-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (4-hydroxy-2,6-dimethoxybenzaldehyde)
title: InChI=1S/C9H10O4/c1-12-8-3-6(11)4-9(13-2)7(8)5-10/h3-5,11H,1-2H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3009, 2843, 2809, 2769, 2649, 2575, 2361, 2343, 1659, 1636, 1577, 1503, 1477, 1459, 1446, 1432, 1417, 1327, 1213, 1197, 1170, 1116, 1037, 996, 976, 926, 830, 789, 747, 687, 657, 601, 572, 561, 494, 453, 421, 408 cm–1.
DOI: 10.14272/jwuggvmkzcvaae-uhfffaoysa-n.1
title: C38H34
title: InChI=1S/C38H34/c1-5-29-6-2-27(1)9-11-31-15-19-33(17-13-29)37(25-31)35-21-23-36(24-22-35)38-26-32-12-10-28-3-7-30(8-4-28)14-18-34(38)20-16-32/h1-8,15-16,19-26H,9-14,17-18H2

description: This dataset contains experimental data from a sample (5-[4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)phenyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene, InChI=1S/C38H34/c1-5-29-6-2-27(1)9-11-31-15-19-33(17-13-29)37(25-31)35-21-23-36(24-22-35)38-26-32-12-10-28-3-7-30(8-4-28)14-18-34(38)20-16-32/h1-8,15-16,19-26H,9-14,17-18H2). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/jwuggvmkzcvaae-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (5-[4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)phenyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene)
title: InChI=1S/C38H34/c1-5-29-6-2-27(1)9-11-31-15-19-33(17-13-29)37(25-31)35-21-23-36(24-22-35)38-26-32-12-10-28-3-7-30(8-4-28)14-18-34(38)20-16-32/h1-8,15-16,19-26H,9-14,17-18H2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3067, 3026, 3010, 2989, 2955, 2926, 2891, 2853, 2359, 1593, 1501, 1476, 1433, 1093, 1017, 936, 911, 879, 842, 810, 793, 738, 720, 697, 679, 653, 602, 585, 569, 516, 493, 475, 442 cm–1.
DOI: 10.14272/wzhgzooqpozknb-uhfffaoysa-n.1
title: tert-butyl-(3,5-dimethoxyphenoxy)-dimethylsilane
title: InChI=1S/C14H24O3Si/c1-14(2,3)18(6,7)17-13-9-11(15-4)8-12(10-13)16-5/h8-10H,1-7H3

description: This dataset contains experimental data from a sample (tert-butyl-(3,5-dimethoxyphenoxy)-dimethylsilane, InChI=1S/C14H24O3Si/c1-14(2,3)18(6,7)17-13-9-11(15-4)8-12(10-13)16-5/h8-10H,1-7H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/wzhgzooqpozknb-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (tert-butyl-(3,5-dimethoxyphenoxy)-dimethylsilane)
title: InChI=1S/C14H24O3Si/c1-14(2,3)18(6,7)17-13-9-11(15-4)8-12(10-13)16-5/h8-10H,1-7H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2955, 2931, 2897, 2857, 2839, 2361, 2342, 1592, 1470, 1460, 1443, 1424, 1390, 1361, 1343, 1303, 1254, 1235, 1203, 1191, 1150, 1057, 1004, 990, 939, 931, 836, 781, 683, 584, 538, 499, 398, 385 cm–1.
DOI: 10.14272/hzakvjdsbycyow-fcxvdctmsa-n.1
title: C27H37NO6
title: InChI=1S/C27H37NO6/c1-7-24(29)28-22(27(31)33-6)15-21(25(28)18-9-11-19(32-5)12-10-18)26(30)34-23-14-17(4)8-13-20(23)16(2)3/h7,9-12,16-17,20-23,25H,1,8,13-15H2,2-6H3/t17-,20+,21+,22+,23-,25+/m1/s1

description: This dataset contains experimental data from a sample (InChI=1S/C27H37NO6/c1-7-24(29)28-22(27(31)33-6)15-21(25(28)18-9-11-19(32-5)12-10-18)26(30)34-23-14-17(4)8-13-20(23)16(2)3/h7,9-12,16-17,20-23,25H,1,8,13-15H2,2-6H3/t17-,20+,21+,22+,23-,25+/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/jtlouxxzzffbbw-gqctyliasa-n.1
title: methyl (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
title: InChI=1S/C11H12O4/c1-14-10-5-3-8(7-9(10)12)4-6-11(13)15-2/h3-7,12H,1-2H3/b6-4+

description: This dataset contains experimental data from a sample (methyl (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate, InChI=1S/C11H12O4/c1-14-10-5-3-8(7-9(10)12)4-6-11(13)15-2/h3-7,12H,1-2H3/b6-4+).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/jtlouxxzzffbbw-gqctyliasa-n/ir
title: IR (methyl (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate, InChI=1S/C11H12O4/c1-14-10-5-3-8(7-9(10)12)4-6-11(13)15-2/h3-7,12H,1-2H3/b6-4+)

description: dataset for IR
      
      IR (ATR, ṽ) = 3395, 3391, 3008, 2955, 2842, 2359, 1713, 1635, 1613, 1582, 1507, 1456, 1442, 1431, 1356, 1309, 1260, 1230, 1191, 1164, 1154, 1126, 1022, 1001, 973, 930, 914, 865, 850, 803, 773, 759, 734, 706, 610, 559, 530, 500, 485, 447 cm–1.
DOI: 10.14272/kashcqgerikjrz-uhfffaoysa-n.1
title: C17H23NO
title: InChI=1S/C17H23NO/c1-4-5-10-18-12-15(17(19)11-13(2)3)14-8-6-7-9-16(14)18/h6-9,12-13H,4-5,10-11H2,1-3H3

description: This dataset contains experimental data from a sample (InChI=1S/C17H23NO/c1-4-5-10-18-12-15(17(19)11-13(2)3)14-8-6-7-9-16(14)18/h6-9,12-13H,4-5,10-11H2,1-3H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/kashcqgerikjrz-uhfffaoysa-n/ir
title: IR (, InChI=1S/C17H23NO/c1-4-5-10-18-12-15(17(19)11-13(2)3)14-8-6-7-9-16(14)18/h6-9,12-13H,4-5,10-11H2,1-3H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3104, 3053, 2955, 2929, 2870, 2360, 2339, 1711, 1638, 1612, 1575, 1524, 1483, 1463, 1388, 1367, 1339, 1221, 1194, 1166, 1149, 1133, 1099, 1058, 1040, 1013, 987, 972, 918, 882, 832, 768, 744, 669, 642, 615, 575, 561, 490, 428, 404, 385, 377 cm–1.
DOI: 10.14272/qsauzeuihomqfh-uhfffaoysa-n.1
title: C22H21N3O
title: InChI=1S/C22H21N3O/c1-2-3-15-25-20-14-7-6-12-19(20)21(24-25)23-22(26)18-13-8-10-16-9-4-5-11-17(16)18/h4-14H,2-3,15H2,1H3,(H,23,24,26)

description: This dataset contains experimental data from a sample (InChI=1S/C22H21N3O/c1-2-3-15-25-20-14-7-6-12-19(20)21(24-25)23-22(26)18-13-8-10-16-9-4-5-11-17(16)18/h4-14H,2-3,15H2,1H3,(H,23,24,26)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/ssinpnynpjqrhw-uhfffaoysa-n.1
title: C26H29N3O
title: InChI=1S/C26H29N3O/c1-3-5-18-28(26(30)22-16-11-13-20-12-7-8-14-21(20)22)25-23-15-9-10-17-24(23)29(27-25)19-6-4-2/h7-17H,3-6,18-19H2,1-2H3

description: This dataset contains experimental data from a sample (InChI=1S/C26H29N3O/c1-3-5-18-28(26(30)22-16-11-13-20-12-7-8-14-21(20)22)25-23-15-9-10-17-24(23)29(27-25)19-6-4-2/h7-17H,3-6,18-19H2,1-2H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/ssinpnynpjqrhw-uhfffaoysa-n/ir
title: IR (, InChI=1S/C26H29N3O/c1-3-5-18-28(26(30)22-16-11-13-20-12-7-8-14-21(20)22)25-23-15-9-10-17-24(23)29(27-25)19-6-4-2/h7-17H,3-6,18-19H2,1-2H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3055, 2957, 2930, 2871, 1650, 1615, 1593, 1578, 1495, 1462, 1440, 1401, 1376, 1354, 1342, 1297, 1256, 1238, 1203, 1154, 1130, 1113, 1073, 1015, 1005, 967, 940, 879, 863, 799, 779, 744, 687, 665, 642, 620, 604, 583, 573, 540, 508, 469, 457, 432 cm–1.
DOI: 10.14272/xquwlknkcvuhqz-ctadllllsa-n.1
title: C36H44ClFN2O7
title: InChI=1S/C36H44ClFN2O7/c1-19(2)25-13-12-20(3)14-30(25)47-34(42)27-18-29(36(44)46-5)40(32(27)22-9-7-11-24(38)16-22)33(41)26-17-28(35(43)45-4)39-31(26)21-8-6-10-23(37)15-21/h6-11,15-16,19-20,25-32,39H,12-14,17-18H2,1-5H3/t20-,25+,26-,27+,28-,29+,30-,31-,32+/m1/s1

description: This dataset contains experimental data from a sample (InChI=1S/C36H44ClFN2O7/c1-19(2)25-13-12-20(3)14-30(25)47-34(42)27-18-29(36(44)46-5)40(32(27)22-9-7-11-24(38)16-22)33(41)26-17-28(35(43)45-4)39-31(26)21-8-6-10-23(37)15-21/h6-11,15-16,19-20,25-32,39H,12-14,17-18H2,1-5H3/t20-,25+,26-,27+,28-,29+,30-,31-,32+/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/xquwlknkcvuhqz-ctadllllsa-n/ir
title: IR (, InChI=1S/C36H44ClFN2O7/c1-19(2)25-13-12-20(3)14-30(25)47-34(42)27-18-29(36(44)46-5)40(32(27)22-9-7-11-24(38)16-22)33(41)26-17-28(35(43)45-4)39-31(26)21-8-6-10-23(37)15-21/h6-11,15-16,19-20,25-32,39H,12-14,17-18H2,1-5H3/t20-,25+,26-,27+,28-,29+,30-,31-,32+/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 2952, 2871, 2360, 1732, 1649, 1615, 1592, 1489, 1435, 1422, 1370, 1283, 1247, 1193, 1177, 1150, 1094, 1033, 1013, 952, 912, 875, 846, 790, 741, 694, 574, 521, 436, 385 cm–1.
DOI: 10.14272/bsgzzgcgbzdwli-uhfffaoysa-n.1
title: C20H41N3O2
title: InChI=1S/C20H41N3O2/c1-3-5-7-8-9-10-11-12-13-15-22-17-20(25)23(18-19(21)24)16-14-6-4-2/h22H,3-18H2,1-2H3,(H2,21,24)

description: This dataset contains experimental data from a sample (InChI=1S/C20H41N3O2/c1-3-5-7-8-9-10-11-12-13-15-22-17-20(25)23(18-19(21)24)16-14-6-4-2/h22H,3-18H2,1-2H3,(H2,21,24)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/bsgzzgcgbzdwli-uhfffaoysa-n/ir
title: IR (, InChI=1S/C20H41N3O2/c1-3-5-7-8-9-10-11-12-13-15-22-17-20(25)23(18-19(21)24)16-14-6-4-2/h22H,3-18H2,1-2H3,(H2,21,24))

description: dataset for IR
      
      IR (ATR, ṽ) = 3377, 3306, 3275, 3190, 3157, 3017, 2958, 2915, 2873, 2849, 2349, 1868, 1795, 1748, 1683, 1664, 1543, 1504, 1470, 1458, 1432, 1421, 1394, 1383, 1353, 1305, 1286, 1271, 1234, 1197, 1174, 1146, 1125, 1081, 1031, 1006, 992, 946, 916, 901, 861, 832, 806, 789, 771, 731, 718, 654, 637, 578, 567, 516, 496, 465, 433, 392 cm–1.
DOI: 10.14272/qsauzeuihomqfh-uhfffaoysa-n/ir
title: IR (, InChI=1S/C22H21N3O/c1-2-3-15-25-20-14-7-6-12-19(20)21(24-25)23-22(26)18-13-8-10-16-9-4-5-11-17(16)18/h4-14H,2-3,15H2,1H3,(H,23,24,26))

description: dataset for IR
      
      IR (ATR, ṽ) = 3222, 3185, 3055, 3014, 2959, 2926, 2871, 2857, 1650, 1615, 1593, 1578, 1533, 1507, 1495, 1484, 1462, 1438, 1429, 1409, 1362, 1352, 1317, 1287, 1254, 1242, 1205, 1195, 1164, 1152, 1140, 1128, 1109, 1077, 1024, 1005, 901, 879, 865, 836, 805, 783, 767, 734, 695, 679, 663, 650, 616, 585, 555, 536, 514, 465, 442, 428, 410 cm–1.
DOI: 10.14272/qtimofynclbaly-hcpovzlesa-n.1
title: C26H34N2O7
title: InChI=1S/C26H34N2O7/c1-6-23(29)27-21(26(31)34-5)14-20(24(27)17-8-10-18(11-9-17)28(32)33)25(30)35-22-13-16(4)7-12-19(22)15(2)3/h6,8-11,15-16,19-22,24H,1,7,12-14H2,2-5H3/t16-,19+,20+,21+,22-,24+/m1/s1

description: This dataset contains experimental data from a sample (InChI=1S/C26H34N2O7/c1-6-23(29)27-21(26(31)34-5)14-20(24(27)17-8-10-18(11-9-17)28(32)33)25(30)35-22-13-16(4)7-12-19(22)15(2)3/h6,8-11,15-16,19-22,24H,1,7,12-14H2,2-5H3/t16-,19+,20+,21+,22-,24+/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/qtimofynclbaly-hcpovzlesa-n/ir
title: IR (, InChI=1S/C26H34N2O7/c1-6-23(29)27-21(26(31)34-5)14-20(24(27)17-8-10-18(11-9-17)28(32)33)25(30)35-22-13-16(4)7-12-19(22)15(2)3/h6,8-11,15-16,19-22,24H,1,7,12-14H2,2-5H3/t16-,19+,20+,21+,22-,24+/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 2953, 2929, 2870, 2360, 1727, 1655, 1616, 1520, 1456, 1419, 1344, 1283, 1266, 1249, 1197, 1174, 1037, 1013, 977, 949, 914, 853, 816, 795, 748, 734, 717, 696, 632, 609, 541, 516, 490, 469, 438, 385 cm–1.
DOI: 10.14272/weauxdvxozkgsx-uhfffaoysa-n.1
title: C12H14OS
title: InChI=1S/C12H14OS/c1-13-10-2-4-11(5-3-10)14-12-6-9(7-12)8-12/h2-5,9H,6-8H2,1H3

description: This dataset contains experimental data from a sample (1-(4-methoxyphenyl)sulfanylbicyclo[1.1.1]pentane, InChI=1S/C12H14OS/c1-13-10-2-4-11(5-3-10)14-12-6-9(7-12)8-12/h2-5,9H,6-8H2,1H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/dfzszlsortvciu-uhfffaoysa-n.1
title: C17H20OS2
title: InChI=1S/C17H20OS2/c18-15-11-13-7-8-14(15)17(19-9-4-10-20-17)16(13)12-5-2-1-3-6-12/h1-3,5-6,13-14,16H,4,7-11H2

description: This dataset contains experimental data from a sample (InChI=1S/C17H20OS2/c18-15-11-13-7-8-14(15)17(19-9-4-10-20-17)16(13)12-5-2-1-3-6-12/h1-3,5-6,13-14,16H,4,7-11H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/dfzszlsortvciu-uhfffaoysa-n/ir
title: IR (, InChI=1S/C17H20OS2/c18-15-11-13-7-8-14(15)17(19-9-4-10-20-17)16(13)12-5-2-1-3-6-12/h1-3,5-6,13-14,16H,4,7-11H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 3055, 3027, 2951, 2932, 2911, 2895, 2860, 2816, 2349, 1942, 1915, 1867, 1847, 1790, 1771, 1724, 1684, 1655, 1635, 1601, 1579, 1560, 1541, 1519, 1506, 1493, 1473, 1463, 1446, 1438, 1415, 1398, 1377, 1363, 1340, 1292, 1269, 1239, 1224, 1200, 1174, 1162, 1118, 1109, 1092, 1078, 1055, 1023, 1004, 982, 966, 926, 918, 902, 890, 857, 843, 815, 752, 738, 697, 656, 629, 585, 554, 533, 524, 509, 480, 465, 456, 433, 418, 388 cm–1.
DOI: 10.14272/krxubzphapghpe-ydfgwwazsa-n.1
title: (E)-3-[3-[(E)-2-carboxyethenyl]phenyl]prop-2-enoic acid
title: InChI=1S/C12H10O4/c13-11(14)6-4-9-2-1-3-10(8-9)5-7-12(15)16/h1-8H,(H,13,14)(H,15,16)/b6-4+,7-5+

description: This dataset contains experimental data from a sample ((E)-3-[3-[(E)-2-carboxyethenyl]phenyl]prop-2-enoic acid, InChI=1S/C12H10O4/c13-11(14)6-4-9-2-1-3-10(8-9)5-7-12(15)16/h1-8H,(H,13,14)(H,15,16)/b6-4+,7-5+).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/krxubzphapghpe-ydfgwwazsa-n/ir
title: IR ((E)-3-[3-[(E)-2-carboxyethenyl]phenyl]prop-2-enoic acid, InChI=1S/C12H10O4/c13-11(14)6-4-9-2-1-3-10(8-9)5-7-12(15)16/h1-8H,(H,13,14)(H,15,16)/b6-4+,7-5+)

description: dataset for IR
      
      IR (ATR, ṽ) = 2812, 2700, 2608, 1728, 1674, 1626, 1609, 1591, 1577, 1487, 1432, 1411, 1309, 1286, 1248, 1220, 1169, 980, 935, 878, 864, 793, 715, 703, 684, 670, 608, 588, 554, 520, 432, 401 cm–1.
DOI: 10.14272/weauxdvxozkgsx-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (1-(4-methoxyphenyl)sulfanylbicyclo[1.1.1]pentane)
title: InChI=1S/C12H14OS/c1-13-10-2-4-11(5-3-10)14-12-6-9(7-12)8-12/h2-5,9H,6-8H2,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2976, 2908, 2874, 2834, 1589, 1571, 1492, 1462, 1441, 1404, 1283, 1242, 1205, 1180, 1171, 1130, 1101, 1031, 1009, 892, 827, 798, 776, 735, 640, 628, 551, 526, 500, 458 cm–1.