cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/kkiguvbjohcxsp-uhfffaoysa-n/ir
title: IR (N-amino-N'-phenylcarbamimidothioic acid, InChI=1S/C7H9N3S/c8-10-7(11)9-6-4-2-1-3-5-6/h1-5H,8H2,(H2,9,10,11))

description: dataset for IR
      
      IR (ATR, ṽ) = 3301, 3156, 3101, 3063, 3038, 3029, 2969, 1747, 1635, 1595, 1521, 1507, 1489, 1458, 1446, 1282, 1217, 1167, 1150, 1068, 1021, 966, 912, 894, 839, 775, 735, 688, 642, 609, 506, 486, 431, 412 cm–1.
DOI: 10.14272/kvghwzywhptwez-uhfffaoysa-n.1
title: C48H48N3O3
title: InChI=1S/C48H48N3O3/c1-43(2)37-22-19-31(28-40(37)46(7,8)49(43)52)13-16-34-25-35(17-14-32-20-23-38-41(29-32)47(9,10)50(53)44(38,3)4)27-36(26-34)18-15-33-21-24-39-42(30-33)48(11,12)51(54)45(39,5)6/h19-30H,1-12H3

description: This dataset contains experimental data from a sample (InChI=1S/C48H48N3O3/c1-43(2)37-22-19-31(28-40(37)46(7,8)49(43)52)13-16-34-25-35(17-14-32-20-23-38-41(29-32)47(9,10)50(53)44(38,3)4)27-36(26-34)18-15-33-21-24-39-42(30-33)48(11,12)51(54)45(39,5)6/h19-30H,1-12H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/kvghwzywhptwez-uhfffaoysa-n/ir
title: IR (, InChI=1S/C48H48N3O3/c1-43(2)37-22-19-31(28-40(37)46(7,8)49(43)52)13-16-34-25-35(17-14-32-20-23-38-41(29-32)47(9,10)50(53)44(38,3)4)27-36(26-34)18-15-33-21-24-39-42(30-33)48(11,12)51(54)45(39,5)6/h19-30H,1-12H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 2973, 2927, 2867, 2359, 2343, 2213, 1616, 1578, 1489, 1465, 1458, 1432, 1419, 1373, 1358, 1312, 1281, 1242, 1162, 1119, 1069, 1044, 979, 875, 827, 701, 679, 625, 594, 574, 548, 465, 429, 404, 385 cm–1.
DOI: 10.14272/lxsjnqnztulimf-uuwrzzswsa-n.1
title: C34H41IO6Si
title: InChI=1S/C34H41IO6Si/c1-7-39-29(37)19-14-20-34(5)22-27(36)30-28(38-6)21-24(31(35)32(30)41-34)23-40-42(33(2,3)4,25-15-10-8-11-16-25)26-17-12-9-13-18-26/h8-13,15-18,21H,7,14,19-20,22-23H2,1-6H3/t34-/m1/s1

description: This dataset contains experimental data from a sample (InChI=1S/C34H41IO6Si/c1-7-39-29(37)19-14-20-34(5)22-27(36)30-28(38-6)21-24(31(35)32(30)41-34)23-40-42(33(2,3)4,25-15-10-8-11-16-25)26-17-12-9-13-18-26/h8-13,15-18,21H,7,14,19-20,22-23H2,1-6H3/t34-/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/lxsjnqnztulimf-uuwrzzswsa-n/ir
title: IR (, InChI=1S/C34H41IO6Si/c1-7-39-29(37)19-14-20-34(5)22-27(36)30-28(38-6)21-24(31(35)32(30)41-34)23-40-42(33(2,3)4,25-15-10-8-11-16-25)26-17-12-9-13-18-26/h8-13,15-18,21H,7,14,19-20,22-23H2,1-6H3/t34-/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 3071, 3048, 2956, 2931, 2894, 2856, 2361, 2342, 1731, 1686, 1613, 1589, 1545, 1507, 1455, 1428, 1395, 1377, 1363, 1333, 1258, 1238, 1196, 1159, 1108, 1050, 1017, 999, 969, 938, 878, 836, 823, 739, 703, 609, 584, 504, 490, 439, 419, 405, 385, 375 cm–1.
DOI: 10.14272/mnoilhpdhohili-uhfffaoysa-n.1
title: 1,1,3,3-tetramethylthiourea
title: InChI=1S/C5H12N2S/c1-6(2)5(8)7(3)4/h1-4H3

description: This dataset contains experimental data from a sample (1,1,3,3-tetramethylthiourea, InChI=1S/C5H12N2S/c1-6(2)5(8)7(3)4/h1-4H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/qokxbbwnbozzit-dfwzabsksa-n.1
title: C25H29Cl3N2O10
title: InChI=1S/C25H29Cl3N2O10/c1-4-12-36-23-18(29-24(35)25(26,27)28)19(38-15(3)32)20(39-17(33)11-10-14(2)31)21(40-23)22(34)30-37-13-16-8-6-5-7-9-16/h4-9,18-21,23H,1,10-13H2,2-3H3,(H,29,35)(H,30,34)/t18?,19-,20+,21?,23-/m1/s1

description: This dataset contains experimental data from a sample (InChI=1S/C25H29Cl3N2O10/c1-4-12-36-23-18(29-24(35)25(26,27)28)19(38-15(3)32)20(39-17(33)11-10-14(2)31)21(40-23)22(34)30-37-13-16-8-6-5-7-9-16/h4-9,18-21,23H,1,10-13H2,2-3H3,(H,29,35)(H,30,34)/t18?,19-,20+,21?,23-/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/qokxbbwnbozzit-dfwzabsksa-n/ir
title: IR (, InChI=1S/C25H29Cl3N2O10/c1-4-12-36-23-18(29-24(35)25(26,27)28)19(38-15(3)32)20(39-17(33)11-10-14(2)31)21(40-23)22(34)30-37-13-16-8-6-5-7-9-16/h4-9,18-21,23H,1,10-13H2,2-3H3,(H,29,35)(H,30,34)/t18?,19-,20+,21?,23-/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 3333, 3313, 3262, 3250, 2961, 2927, 1747, 1714, 1697, 1674, 1616, 1568, 1558, 1530, 1507, 1456, 1408, 1366, 1306, 1296, 1222, 1152, 1091, 1069, 1040, 992, 925, 912, 892, 866, 826, 793, 765, 742, 697, 684, 669, 642, 618, 608, 588, 575, 567, 524, 497, 477, 446, 431, 408, 385 cm–1.
DOI: 10.14272/repfnyfeiozrlm-lwqdqpmzsa-n.1
title: C44H34N8
title: InChI=1S/C44H34N8/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27/h1-24,49,52H,45-48H2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-

description: This dataset contains experimental data from a sample (InChI=1S/C44H34N8/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27/h1-24,49,52H,45-48H2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/repfnyfeiozrlm-lwqdqpmzsa-n/ir
title: IR (, InChI=1S/C44H34N8/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27/h1-24,49,52H,45-48H2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-)

description: dataset for IR
      
      IR (ATR, ṽ) = 3335, 2939, 2861, 2361, 2343, 1756, 1604, 1511, 1502, 1465, 1407, 1374, 1347, 1313, 1283, 1249, 1177, 1156, 1109, 1028, 983, 963, 928, 905, 877, 837, 795, 734, 710, 669, 636, 554, 530, 490, 445, 419, 398, 385 cm–1.
DOI: 10.14272/rzlwneqilfbeay-uhfffaoysa-n.1
title: C12H16O3
title: InChI=1S/C12H16O3/c1-4-5-15-9-10-6-11(13-2)8-12(7-10)14-3/h4,6-8H,1,5,9H2,2-3H3

description: This dataset contains experimental data from a sample (InChI=1S/C12H16O3/c1-4-5-15-9-10-6-11(13-2)8-12(7-10)14-3/h4,6-8H,1,5,9H2,2-3H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/rzlwneqilfbeay-uhfffaoysa-n/ir
title: IR (, InChI=1S/C12H16O3/c1-4-5-15-9-10-6-11(13-2)8-12(7-10)14-3/h4,6-8H,1,5,9H2,2-3H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3000, 2936, 2914, 2839, 1646, 1595, 1541, 1507, 1459, 1428, 1384, 1347, 1319, 1295, 1248, 1203, 1150, 1089, 1054, 1020, 992, 921, 832, 748, 705, 686, 670, 635, 606, 592, 574, 561, 538, 490, 459, 445, 436, 419, 405, 398, 385 cm–1.
DOI: 10.14272/uhjoukyfwvjred-ncsooznjsa-n.2
title: C21H34O4
title: InChI=1S/C21H34O4/c1-19-12-18(23)17(22)11-13(19)3-4-14-15(19)5-7-20(2)16(14)6-8-21(20)24-9-10-25-21/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17+,18+,19-,20-/m0/s1

description: This dataset contains experimental data from a sample (InChI=1S/C21H34O4/c1-19-12-18(23)17(22)11-13(19)3-4-14-15(19)5-7-20(2)16(14)6-8-21(20)24-9-10-25-21/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17+,18+,19-,20-/m0/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/uhjoukyfwvjred-ncsooznjsa-n/ir.1
title: IR (, InChI=1S/C21H34O4/c1-19-12-18(23)17(22)11-13(19)3-4-14-15(19)5-7-20(2)16(14)6-8-21(20)24-9-10-25-21/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17+,18+,19-,20-/m0/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 3483, 3458, 3411, 2985, 2932, 2917, 2898, 2885, 2866, 2851, 2842, 1734, 1717, 1470, 1456, 1441, 1385, 1375, 1356, 1339, 1306, 1278, 1230, 1205, 1167, 1132, 1103, 1065, 1052, 1033, 1009, 986, 976, 949, 928, 909, 885, 844, 789, 749, 670, 637, 622, 589, 543, 521, 475, 422 cm–1.
DOI: 10.14272/xulqyzjfcnmxtm-gudvdzbrsa-n.1
title: (2S)-2-[[(1R,2R)-2-(dipropylamino)cyclohexyl]carbamothioylamino]-3,3-dimethyl-N-propan-2-ylbutanamide
title: InChI=1S/C22H44N4OS/c1-8-14-26(15-9-2)18-13-11-10-12-17(18)24-21(28)25-19(22(5,6)7)20(27)23-16(3)4/h16-19H,8-15H2,1-7H3,(H,23,27)(H2,24,25,28)/t17-,18-,19-/m1/s1

description: This dataset contains experimental data from a sample ((2S)-2-[[(1R,2R)-2-(dipropylamino)cyclohexyl]carbamothioylamino]-3,3-dimethyl-N-propan-2-ylbutanamide, InChI=1S/C22H44N4OS/c1-8-14-26(15-9-2)18-13-11-10-12-17(18)24-21(28)25-19(22(5,6)7)20(27)23-16(3)4/h16-19H,8-15H2,1-7H3,(H,23,27)(H2,24,25,28)/t17-,18-,19-/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/xulqyzjfcnmxtm-gudvdzbrsa-n/ir
title: IR ((2S)-2-[[(1R,2R)-2-(dipropylamino)cyclohexyl]carbamothioylamino]-3,3-dimethyl-N-propan-2-ylbutanamide, InChI=1S/C22H44N4OS/c1-8-14-26(15-9-2)18-13-11-10-12-17(18)24-21(28)25-19(22(5,6)7)20(27)23-16(3)4/h16-19H,8-15H2,1-7H3,(H,23,27)(H2,24,25,28)/t17-,18-,19-/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 3293, 2957, 2930, 2869, 2816, 1641, 1527, 1478, 1464, 1397, 1366, 1338, 1258, 1230, 1207, 1170, 1130, 1077, 1030, 956, 907, 865, 848, 752, 732, 650, 579 cm–1.
DOI: 10.14272/ygtisrfapoctov-mznjeogpsa-n.1
title: C24H21NO11
title: InChI=1S/C24H21NO11/c1-11-8-16-20(15(26)10-24(36-16,23(30)34-3)17-6-7-18(27)35-17)21(28)19(11)12-4-5-13(22(29)33-2)14(9-12)25(31)32/h4-5,8-9,17,28H,6-7,10H2,1-3H3/t17-,24-/m1/s1

description: This dataset contains experimental data from a sample (InChI=1S/C24H21NO11/c1-11-8-16-20(15(26)10-24(36-16,23(30)34-3)17-6-7-18(27)35-17)21(28)19(11)12-4-5-13(22(29)33-2)14(9-12)25(31)32/h4-5,8-9,17,28H,6-7,10H2,1-3H3/t17-,24-/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/ygtisrfapoctov-mznjeogpsa-n/ir
title: IR (, InChI=1S/C24H21NO11/c1-11-8-16-20(15(26)10-24(36-16,23(30)34-3)17-6-7-18(27)35-17)21(28)19(11)12-4-5-13(22(29)33-2)14(9-12)25(31)32/h4-5,8-9,17,28H,6-7,10H2,1-3H3/t17-,24-/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 3735, 2959, 2928, 2851, 2363, 2340, 2191, 1781, 1730, 1635, 1574, 1533, 1506, 1436, 1418, 1354, 1289, 1261, 1210, 1194, 1159, 1132, 1091, 1062, 1034, 1017, 1000, 952, 936, 915, 901, 856, 834, 786, 758, 730, 715, 698, 670, 639, 596, 558, 537, 501, 452, 428, 419, 404, 385 cm–1.
DOI: 10.14272/zbekoeycwkimgu-uhfffaoysa-n.1
title: 1-ethylpiperazine-2,3-dione
title: InChI=1S/C6H10N2O2/c1-2-8-4-3-7-5(9)6(8)10/h2-4H2,1H3,(H,7,9)

description: This dataset contains experimental data from a sample (1-ethylpiperazine-2,3-dione, InChI=1S/C6H10N2O2/c1-2-8-4-3-7-5(9)6(8)10/h2-4H2,1H3,(H,7,9)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/zbekoeycwkimgu-uhfffaoysa-n/ir
title: IR (1-ethylpiperazine-2,3-dione, InChI=1S/C6H10N2O2/c1-2-8-4-3-7-5(9)6(8)10/h2-4H2,1H3,(H,7,9))

description: dataset for IR
      
      IR (ATR, ṽ) = 3245, 2976, 1740, 1697, 1662, 1647, 1636, 1616, 1558, 1541, 1521, 1507, 1486, 1472, 1458, 1448, 1434, 1377, 1361, 1333, 1273, 1239, 1213, 1123, 1099, 1088, 1072, 1000, 969, 945, 874, 812, 795, 738, 710, 670, 586, 514, 490, 438, 394 cm–1.
DOI: 10.14272/atcqgpieajdziz-uhfffaoysa-n.1
title: C63H32F5N7O
title: InChI=1S/C63H32F5N7O/c64-53-51(54(65)56(67)57(68)55(53)66)62-70-71-63(76-62)52-58(72-43-25-9-1-17-34(43)35-18-2-10-26-44(35)72)42(33-69)59(73-45-27-11-3-19-36(45)37-20-4-12-28-46(37)73)61(75-49-31-15-7-23-40(49)41-24-8-16-32-50(41)75)60(52)74-47-29-13-5-21-38(47)39-22-6-14-30-48(39)74/h1-32H

description: This dataset contains experimental data from a sample (InChI=1S/C63H32F5N7O/c64-53-51(54(65)56(67)57(68)55(53)66)62-70-71-63(76-62)52-58(72-43-25-9-1-17-34(43)35-18-2-10-26-44(35)72)42(33-69)59(73-45-27-11-3-19-36(45)37-20-4-12-28-46(37)73)61(75-49-31-15-7-23-40(49)41-24-8-16-32-50(41)75)60(52)74-47-29-13-5-21-38(47)39-22-6-14-30-48(39)74/h1-32H).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/atcqgpieajdziz-uhfffaoysa-n/ir
title: IR (, InChI=1S/C63H32F5N7O/c64-53-51(54(65)56(67)57(68)55(53)66)62-70-71-63(76-62)52-58(72-43-25-9-1-17-34(43)35-18-2-10-26-44(35)72)42(33-69)59(73-45-27-11-3-19-36(45)37-20-4-12-28-46(37)73)61(75-49-31-15-7-23-40(49)41-24-8-16-32-50(41)75)60(52)74-47-29-13-5-21-38(47)39-22-6-14-30-48(39)74/h1-32H)

description: dataset for IR
      
      IR (ATR, ṽ) = 3735, 3044, 2363, 2342, 2184, 1741, 1596, 1581, 1547, 1490, 1477, 1446, 1380, 1333, 1309, 1285, 1265, 1221, 1160, 1150, 1118, 1071, 1050, 1027, 1016, 1003, 955, 924, 849, 812, 786, 771, 739, 720, 688, 669, 637, 618, 594, 574, 548, 527, 487, 470, 441, 419, 405, 398, 385 cm–1.
DOI: 10.14272/cbmyfvsiiyilrh-uhfffaoysa-n.3
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/cbmyfvsiiyilrh-uhfffaoysa-n/ir.2
title: IR (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)

description: dataset for IR
      
      IR (ATR, ṽ) = 3420, 3200, 3102, 1747, 1647, 1636, 1622, 1575, 1521, 1458, 1370, 1337, 1313, 1232, 1180, 1108, 1051, 1000, 874, 861, 827, 812, 761, 676, 660, 642, 564, 526, 483, 432, 418, 399, 381 cm–1.
DOI: 10.14272/dylfjjyynygidi-uhfffaoysa-n.1
title: C66H43N7O
title: InChI=1S/C66H43N7O/c1-39-36-40(2)59(41(3)37-39)65-68-69-66(74-65)60-61(70-51-28-12-4-20-42(51)43-21-5-13-29-52(43)70)50(38-67)62(71-53-30-14-6-22-44(53)45-23-7-15-31-54(45)71)64(73-57-34-18-10-26-48(57)49-27-11-19-35-58(49)73)63(60)72-55-32-16-8-24-46(55)47-25-9-17-33-56(47)72/h4-37H,1-3H3

description: This dataset contains experimental data from a sample (2,3,4,6-tetra(carbazol-9-yl)-5-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]benzonitrile, InChI=1S/C66H43N7O/c1-39-36-40(2)59(41(3)37-39)65-68-69-66(74-65)60-61(70-51-28-12-4-20-42(51)43-21-5-13-29-52(43)70)50(38-67)62(71-53-30-14-6-22-44(53)45-23-7-15-31-54(45)71)64(73-57-34-18-10-26-48(57)49-27-11-19-35-58(49)73)63(60)72-55-32-16-8-24-46(55)47-25-9-17-33-56(47)72/h4-37H,1-3H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/dylfjjyynygidi-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (2,3,4,6-tetra(carbazol-9-yl)-5-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]benzonitrile)
title: InChI=1S/C66H43N7O/c1-39-36-40(2)59(41(3)37-39)65-68-69-66(74-65)60-61(70-51-28-12-4-20-42(51)43-21-5-13-29-52(43)70)50(38-67)62(71-53-30-14-6-22-44(53)45-23-7-15-31-54(45)71)64(73-57-34-18-10-26-48(57)49-27-11-19-35-58(49)73)63(60)72-55-32-16-8-24-46(55)47-25-9-17-33-56(47)72/h4-37H,1-3H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3737, 3048, 2363, 2342, 1596, 1578, 1550, 1490, 1477, 1446, 1380, 1333, 1309, 1285, 1265, 1221, 1150, 1118, 1072, 1050, 1027, 1016, 1003, 956, 926, 849, 813, 785, 768, 739, 720, 688, 669, 637, 618, 594, 574, 548, 527, 487, 470, 441, 419, 398, 385 cm–1.
DOI: 10.14272/fvdobfpybsdrkh-uhfffaoysa-n.1
title: perylene-3,4,9,10-tetracarboxylic acid
title: InChI=1S/C24H12O8/c25-21(26)13-5-1-9-10-2-6-15(23(29)30)20-16(24(31)32)8-4-12(18(10)20)11-3-7-14(22(27)28)19(13)17(9)11/h1-8H,(H,25,26)(H,27,28)(H,29,30)(H,31,32)

description: This dataset contains experimental data from a sample (perylene-3,4,9,10-tetracarboxylic acid, InChI=1S/C24H12O8/c25-21(26)13-5-1-9-10-2-6-15(23(29)30)20-16(24(31)32)8-4-12(18(10)20)11-3-7-14(22(27)28)19(13)17(9)11/h1-8H,(H,25,26)(H,27,28)(H,29,30)(H,31,32)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/fvdobfpybsdrkh-uhfffaoysa-n/ir
title: IR (perylene-3,4,9,10-tetracarboxylic acid, InChI=1S/C24H12O8/c25-21(26)13-5-1-9-10-2-6-15(23(29)30)20-16(24(31)32)8-4-12(18(10)20)11-3-7-14(22(27)28)19(13)17(9)11/h1-8H,(H,25,26)(H,27,28)(H,29,30)(H,31,32))

description: dataset for IR
      
      IR (ATR, ṽ) = 3119, 3101, 2361, 1769, 1755, 1742, 1730, 1592, 1581, 1507, 1407, 1299, 1266, 1234, 1194, 1146, 1130, 1120, 1016, 972, 938, 858, 807, 793, 758, 731, 640, 602, 571, 503, 446, 435, 382 cm–1.
DOI: 10.14272/fyrhiovktdqvfc-uhfffaoysa-m.1
title: potassium;isoindol-2-ide-1,3-dione
title: InChI=1S/C8H5NO2.K/c10-7-5-3-1-2-4-6(5)8(11)9-7;/h1-4H,(H,9,10,11);/q;+1/p-1

description: This dataset contains experimental data from a sample (potassium;3-oxoisoindol-1-olate, InChI=1S/C8H5NO2.K/c10-7-5-3-1-2-4-6(5)8(11)9-7;/h1-4H,(H,9,10,11);/q;+1/p-1). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/fyrhiovktdqvfc-uhfffaoysa-m/ir
title: infrared absorption spectroscopy (IR) (potassium;3-oxoisoindol-1-olate)
title: InChI=1S/C8H5NO2.K/c10-7-5-3-1-2-4-6(5)8(11)9-7;/h1-4H,(H,9,10,11);/q;+1/p-1

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3043, 1747, 1703, 1686, 1608, 1591, 1575, 1507, 1458, 1373, 1351, 1295, 1285, 1232, 1210, 1184, 1136, 1125, 1004, 952, 890, 841, 789, 715, 688, 664, 560, 538, 408 cm–1.
DOI: 10.14272/hdyvctyitrsdgk-uhfffaoysa-n.1
title: C19H23BrO3
title: InChI=1S/C19H23BrO3/c1-3-4-7-19(8-5-6-9-19)13-10-16(22-2)14-12-15(20)18(21)23-17(14)11-13/h10-12H,3-9H2,1-2H3

description: This dataset contains experimental data from a sample (InChI=1S/C19H23BrO3/c1-3-4-7-19(8-5-6-9-19)13-10-16(22-2)14-12-15(20)18(21)23-17(14)11-13/h10-12H,3-9H2,1-2H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/hdyvctyitrsdgk-uhfffaoysa-n/ir
title: IR (, InChI=1S/C19H23BrO3/c1-3-4-7-19(8-5-6-9-19)13-10-16(22-2)14-12-15(20)18(21)23-17(14)11-13/h10-12H,3-9H2,1-2H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 2951, 2927, 2867, 1732, 1616, 1604, 1490, 1456, 1442, 1409, 1346, 1289, 1232, 1128, 1103, 955, 922, 840, 790, 751, 730, 637 cm–1.
DOI: 10.14272/iafumxpxnnlvne-uhfffaoysa-n.1
title: C15H16O2
title: InChI=1S/C15H16O2/c1-9-7-11-5-3-4-6-12(11)13-8-10(2)15(16)17-14(9)13/h7-8H,3-6H2,1-2H3

description: This dataset contains experimental data from a sample (InChI=1S/C15H16O2/c1-9-7-11-5-3-4-6-12(11)13-8-10(2)15(16)17-14(9)13/h7-8H,3-6H2,1-2H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/iafumxpxnnlvne-uhfffaoysa-n/ir
title: IR (, InChI=1S/C15H16O2/c1-9-7-11-5-3-4-6-12(11)13-8-10(2)15(16)17-14(9)13/h7-8H,3-6H2,1-2H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 2908, 2868, 2830, 1715, 1558, 1541, 1472, 1458, 1364, 1283, 1232, 1191, 1140, 1088, 1061, 1010, 898, 864, 796, 762, 694, 595, 533, 395 cm–1.
DOI: 10.14272/ltffyvvcuvyzpe-gosisdbhsa-n.1
title: (2S)-N-benzyl-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-N,3,3-trimethylbutanamide
title: InChI=1S/C23H25F6N3OS/c1-21(2,3)18(19(33)32(4)13-14-8-6-5-7-9-14)31-20(34)30-17-11-15(22(24,25)26)10-16(12-17)23(27,28)29/h5-12,18H,13H2,1-4H3,(H2,30,31,34)/t18-/m1/s1

description: This dataset contains experimental data from a sample ((2S)-N-benzyl-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-N,3,3-trimethylbutanamide, InChI=1S/C23H25F6N3OS/c1-21(2,3)18(19(33)32(4)13-14-8-6-5-7-9-14)31-20(34)30-17-11-15(22(24,25)26)10-16(12-17)23(27,28)29/h5-12,18H,13H2,1-4H3,(H2,30,31,34)/t18-/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/ltffyvvcuvyzpe-gosisdbhsa-n/ir
title: IR ((2S)-N-benzyl-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-N,3,3-trimethylbutanamide, InChI=1S/C23H25F6N3OS/c1-21(2,3)18(19(33)32(4)13-14-8-6-5-7-9-14)31-20(34)30-17-11-15(22(24,25)26)10-16(12-17)23(27,28)29/h5-12,18H,13H2,1-4H3,(H2,30,31,34)/t18-/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 3310, 2969, 1740, 1608, 1577, 1533, 1509, 1473, 1458, 1419, 1385, 1339, 1275, 1248, 1237, 1218, 1173, 1129, 1108, 1028, 1000, 977, 962, 945, 901, 881, 849, 772, 748, 725, 697, 680, 662, 603, 594, 527, 493, 462, 385, 375 cm–1.
DOI: 10.14272/lujclvqavweeer-fjtvdoqrsa-n.1
title: (3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-naphthalen-1-yl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
title: InChI=1S/C29H36O/c1-28-16-14-21(30)18-20(28)10-11-24-26-13-12-25(29(26,2)17-15-27(24)28)23-9-5-7-19-6-3-4-8-22(19)23/h3-9,12,20-21,24,26-27,30H,10-11,13-18H2,1-2H3/t20-,21-,24-,26-,27-,28-,29+/m0/s1

description: This dataset contains experimental data from a sample ((3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-naphthalen-1-yl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol, InChI=1S/C29H36O/c1-28-16-14-21(30)18-20(28)10-11-24-26-13-12-25(29(26,2)17-15-27(24)28)23-9-5-7-19-6-3-4-8-22(19)23/h3-9,12,20-21,24,26-27,30H,10-11,13-18H2,1-2H3/t20-,21-,24-,26-,27-,28-,29+/m0/s1). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/mnoilhpdhohili-uhfffaoysa-n/ir
title: IR (1,1,3,3-tetramethylthiourea, InChI=1S/C5H12N2S/c1-6(2)5(8)7(3)4/h1-4H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3004, 2938, 2924, 2912, 2910, 2881, 2850, 2826, 2799, 1751, 1490, 1469, 1434, 1402, 1356, 1262, 1207, 1149, 1118, 1095, 1061, 880, 660, 623, 487, 394 cm–1.
DOI: 10.14272/qyesjeqzuohgiq-uhfffaoysa-n/ir
title: IR (, InChI=1S/C26H27F3O3/c1-3-4-11-25(12-5-6-13-25)19-14-22(31-2)21-16-20(24(30)32-23(21)15-19)17-7-9-18(10-8-17)26(27,28)29/h7-10,14-16H,3-6,11-13H2,1-2H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 2955, 2931, 2873, 1762, 1730, 1718, 1613, 1584, 1458, 1411, 1322, 1278, 1234, 1214, 1164, 1105, 1067, 1017, 949, 841, 735, 609, 398 cm–1.
DOI: 10.14272/wdpqolugskpubf-jxmrogbwsa-n.1
title: C12H16O3
title: InChI=1S/C12H16O3/c1-10(7-8-13)9-15-12-5-3-11(14-2)4-6-12/h3-7,13H,8-9H2,1-2H3/b10-7+

description: This dataset contains experimental data from a sample (InChI=1S/C12H16O3/c1-10(7-8-13)9-15-12-5-3-11(14-2)4-6-12/h3-7,13H,8-9H2,1-2H3/b10-7+).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/wdpqolugskpubf-jxmrogbwsa-n/ir
title: IR (, InChI=1S/C12H16O3/c1-10(7-8-13)9-15-12-5-3-11(14-2)4-6-12/h3-7,13H,8-9H2,1-2H3/b10-7+)

description: dataset for IR
      
      IR (ATR, ṽ) = 3366, 3046, 2996, 2953, 2934, 2915, 2883, 2834, 2360, 2340, 2048, 1680, 1615, 1592, 1503, 1465, 1441, 1383, 1295, 1213, 1180, 1112, 1034, 1006, 987, 948, 860, 824, 798, 749, 670, 642, 518, 405, 384 cm–1.
DOI: 10.14272/zjxhvysdmukuca-uhfffaoysa-n.2
title: tert-butyl 3-aminopropanoate
title: InChI=1S/C7H15NO2/c1-7(2,3)10-6(9)4-5-8/h4-5,8H2,1-3H3

description: This dataset contains experimental data from a sample (tert-butyl 3-aminopropanoate, InChI=1S/C7H15NO2/c1-7(2,3)10-6(9)4-5-8/h4-5,8H2,1-3H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/bujfzxpwkqqqht-jdvbpaggsa-n.1
title: C37H46Cl3NO17
title: InChI=1S/C37H46Cl3NO17/c1-7-15-50-34-28(41-36(48)37(38,39)40)31(29(52-21(4)44)25(55-34)17-49-16-24-11-9-8-10-12-24)58-35-33(54-23(6)46)32(53-22(5)45)30(26(56-35)18-51-20(3)43)57-27(47)14-13-19(2)42/h7-12,25-26,28-35H,1,13-18H2,2-6H3,(H,41,48)/t25?,26?,28?,29-,30-,31-,32+,33?,34-,35+/m1/s1

description: This dataset contains experimental data from a sample (InChI=1S/C37H46Cl3NO17/c1-7-15-50-34-28(41-36(48)37(38,39)40)31(29(52-21(4)44)25(55-34)17-49-16-24-11-9-8-10-12-24)58-35-33(54-23(6)46)32(53-22(5)45)30(26(56-35)18-51-20(3)43)57-27(47)14-13-19(2)42/h7-12,25-26,28-35H,1,13-18H2,2-6H3,(H,41,48)/t25?,26?,28?,29-,30-,31-,32+,33?,34-,35+/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/bujfzxpwkqqqht-jdvbpaggsa-n/ir
title: IR (, InChI=1S/C37H46Cl3NO17/c1-7-15-50-34-28(41-36(48)37(38,39)40)31(29(52-21(4)44)25(55-34)17-49-16-24-11-9-8-10-12-24)58-35-33(54-23(6)46)32(53-22(5)45)30(26(56-35)18-51-20(3)43)57-27(47)14-13-19(2)42/h7-12,25-26,28-35H,1,13-18H2,2-6H3,(H,41,48)/t25?,26?,28?,29-,30-,31-,32+,33?,34-,35+/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 2928, 2868, 1748, 1717, 1653, 1647, 1558, 1540, 1523, 1509, 1456, 1429, 1419, 1405, 1366, 1217, 1147, 1034, 916, 902, 837, 822, 755, 742, 700, 673, 630, 602, 486 cm–1.