cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/mbtzmvkqswoars-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (3-[(4-fluorophenyl)methyl]-5,7-dimethoxychromen-2-one)
title: InChI=1S/C18H15FO4/c1-21-14-9-16(22-2)15-8-12(18(20)23-17(15)10-14)7-11-3-5-13(19)6-4-11/h3-6,8-10H,7H2,1-2H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2925, 2849, 1714, 1704, 1608, 1507, 1497, 1470, 1458, 1421, 1366, 1313, 1293, 1241, 1228, 1215, 1204, 1145, 1111, 1092, 1050, 1038, 999, 949, 933, 898, 882, 853, 822, 764, 724, 681, 640, 564, 531, 465, 416, 380 cm–1.
DOI: 10.14272/rejbtxqsiqfrre-nqfmhkjysa-n/ir
title: infrared absorption spectroscopy (IR) (3-[(5S,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one)
title: InChI=1S/C23H32O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15,17-19,26H,3-10,12-13H2,1-2H3/t15-,17+,18-,19+,21-,22+,23-/m0/s1

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3499, 2973, 2928, 2857, 2843, 1795, 1723, 1613, 1470, 1443, 1421, 1401, 1385, 1361, 1343, 1309, 1276, 1231, 1173, 1118, 1054, 1024, 950, 898, 861, 823, 734, 698, 537, 518, 497, 469, 402 cm–1.
DOI: 10.14272/wkpxhjqlontgkn-uhfffaoysa-n.1
title: C21H18F6O4S2
title: InChI=1S/C21H18F6O4S2/c1-5-30-17(28)13-7-11(9(3)32-13)15-16(20(24,25)21(26,27)19(15,22)23)12-8-14(33-10(12)4)18(29)31-6-2/h7-8H,5-6H2,1-4H3

description: This dataset contains experimental data from a sample (InChI=1S/C21H18F6O4S2/c1-5-30-17(28)13-7-11(9(3)32-13)15-16(20(24,25)21(26,27)19(15,22)23)12-8-14(33-10(12)4)18(29)31-6-2/h7-8H,5-6H2,1-4H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/wkpxhjqlontgkn-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C21H18F6O4S2/c1-5-30-17(28)13-7-11(9(3)32-13)15-16(20(24,25)21(26,27)19(15,22)23)12-8-14(33-10(12)4)18(29)31-6-2/h7-8H,5-6H2,1-4H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2993, 2927, 2911, 1708, 1555, 1479, 1470, 1449, 1370, 1334, 1300, 1252, 1193, 1157, 1119, 1086, 1064, 1017, 983, 904, 894, 873, 815, 751, 663, 622, 564, 538, 486, 467, 378 cm–1.
DOI: 10.14272/xotgtqgtntvmpg-uhfffaoysa-n.1
title: [3-prop-2-ynoyloxy-2,2-bis(prop-2-ynoyloxymethyl)propyl] prop-2-ynoate
title: InChI=1S/C17H12O8/c1-5-13(18)22-9-17(10-23-14(19)6-2,11-24-15(20)7-3)12-25-16(21)8-4/h1-4H,9-12H2

description: This dataset contains experimental data from a sample ([3-prop-2-ynoyloxy-2,2-bis(prop-2-ynoyloxymethyl)propyl] prop-2-ynoate, InChI=1S/C17H12O8/c1-5-13(18)22-9-17(10-23-14(19)6-2,11-24-15(20)7-3)12-25-16(21)8-4/h1-4H,9-12H2). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/xotgtqgtntvmpg-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) ([3-prop-2-ynoyloxy-2,2-bis(prop-2-ynoyloxymethyl)propyl] prop-2-ynoate)
title: InChI=1S/C17H12O8/c1-5-13(18)22-9-17(10-23-14(19)6-2,11-24-15(20)7-3)12-25-16(21)8-4/h1-4H,9-12H2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3275, 3244, 2966, 2119, 1707, 1465, 1380, 1310, 1208, 1193, 1167, 1079, 1047, 1035, 1011, 1000, 959, 931, 907, 860, 748, 700, 670, 582, 551, 523, 446 cm–1.
DOI: 10.14272/znaxzvwvjhsclk-uhfffaoysa-n.2
title: C18H14N2
title: InChI=1S/C18H14N2/c19-11-17-9-13-1-5-15(17)8-4-14-2-6-16(7-3-13)18(10-14)12-20/h1-2,5-6,9-10H,3-4,7-8H2

description: This dataset contains experimental data from a sample (tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-dicarbonitrile, InChI=1S/C18H14N2/c19-11-17-9-13-1-5-15(17)8-4-14-2-6-16(7-3-13)18(10-14)12-20/h1-2,5-6,9-10H,3-4,7-8H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/znaxzvwvjhsclk-uhfffaoysa-n/ir.1
title: IR (tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,11-dicarbonitrile, InChI=1S/C18H14N2/c19-11-17-9-13-1-5-15(17)8-4-14-2-6-16(7-3-13)18(10-14)12-20/h1-2,5-6,9-10H,3-4,7-8H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 2936, 2860, 2217, 1591, 1483, 1456, 1438, 1408, 1329, 1320, 1302, 1231, 1132, 965, 956, 894, 873, 856, 745, 721, 688, 654, 554, 503, 483 cm–1.
DOI: 10.14272/aoxomzyricnlqz-uhfffaoysa-n.1
title: trimethyl-[2-[2-(2-trimethylsilylethynyl)phenyl]ethynyl]silane
title: InChI=1S/C16H22Si2/c1-17(2,3)13-11-15-9-7-8-10-16(15)12-14-18(4,5)6/h7-10H,1-6H3

description: This dataset contains experimental data from a sample (trimethyl-[2-[2-(2-trimethylsilylethynyl)phenyl]ethynyl]silane, InChI=1S/C16H22Si2/c1-17(2,3)13-11-15-9-7-8-10-16(15)12-14-18(4,5)6/h7-10H,1-6H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/aoxomzyricnlqz-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (trimethyl-[2-[2-(2-trimethylsilylethynyl)phenyl]ethynyl]silane)
title: InChI=1S/C16H22Si2/c1-17(2,3)13-11-15-9-7-8-10-16(15)12-14-18(4,5)6/h7-10H,1-6H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3089, 3061, 2959, 2898, 2855, 2791, 2359, 2331, 2214, 2182, 2159, 2066, 2019, 1996, 1949, 1927, 1849, 1817, 1784, 1754, 1739, 1725, 1713, 1690, 1678, 1658, 1641, 1629, 1588, 1566, 1550, 1529, 1513, 1474, 1440, 1421, 1407, 1378, 1370, 1358, 1301, 1248, 1228, 1201, 1160, 1136, 1099, 1073, 1038, 950, 907, 860, 836, 783, 756, 699, 642, 604, 583, 569, 561, 549, 534, 514, 498, 469, 461, 453, 447, 438, 422, 414 cm–1.
DOI: 10.14272/bocukccvjhsoga-uhfffaoysa-n.1
title: C16H22O3S
title: InChI=1S/C16H22O3S/c1-13-9-11-14(12-10-13)20(18,19)16-8-6-4-2-3-5-7-15(16)17/h9-12,16H,2-8H2,1H3

description: This dataset contains experimental data from a sample (InChI=1S/C16H22O3S/c1-13-9-11-14(12-10-13)20(18,19)16-8-6-4-2-3-5-7-15(16)17/h9-12,16H,2-8H2,1H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/bocukccvjhsoga-uhfffaoysa-n/ir
title: IR (, InChI=1S/C16H22O3S/c1-13-9-11-14(12-10-13)20(18,19)16-8-6-4-2-3-5-7-15(16)17/h9-12,16H,2-8H2,1H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 2935, 2924, 2870, 2360, 1684, 1595, 1480, 1446, 1385, 1371, 1356, 1336, 1306, 1290, 1273, 1254, 1239, 1198, 1169, 1150, 1106, 1084, 1033, 1011, 987, 936, 915, 829, 815, 802, 756, 739, 718, 705, 674, 622, 584, 567, 538, 477, 438, 398, 387 cm–1.
DOI: 10.14272/bwvptmjtrjuypg-uhfffaoysa-n.1
title: C16H15N3
title: InChI=1S/C16H15N3/c17-19-18-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9H2

description: This dataset contains experimental data from a sample (5-azidotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene, InChI=1S/C16H15N3/c17-19-18-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/bwvptmjtrjuypg-uhfffaoysa-n/ir
title: IR (5-azidotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene, InChI=1S/C16H15N3/c17-19-18-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 3033, 3009, 2959, 2927, 2891, 2853, 2364, 2101, 1982, 1900, 1592, 1558, 1492, 1451, 1435, 1408, 1319, 1285, 1275, 1241, 1205, 1186, 1162, 1132, 1099, 1079, 965, 946, 932, 890, 860, 830, 798, 769, 718, 684, 663, 646, 625, 586, 523, 507, 497, 476, 450, 438, 387 cm–1.
DOI: 10.14272/cvqajmlgdxbvac-isdwtxnasa-n.1
title: C14H22O8S
title: InChI=1S/C14H22O8S/c1-5-23-14-13(21-9(4)18)12(20-8(3)17)11(19-7(2)16)10(6-15)22-14/h10-15H,5-6H2,1-4H3/t10?,11-,12+,13?,14+/m1/s1

description: This dataset contains experimental data from a sample (InChI=1S/C14H22O8S/c1-5-23-14-13(21-9(4)18)12(20-8(3)17)11(19-7(2)16)10(6-15)22-14/h10-15H,5-6H2,1-4H3/t10?,11-,12+,13?,14+/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/cvqajmlgdxbvac-isdwtxnasa-n/ir
title: IR (, InChI=1S/C14H22O8S/c1-5-23-14-13(21-9(4)18)12(20-8(3)17)11(19-7(2)16)10(6-15)22-14/h10-15H,5-6H2,1-4H3/t10?,11-,12+,13?,14+/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 3527, 3400, 2946, 2880, 1751, 1456, 1429, 1367, 1235, 1207, 1086, 1058, 1030, 979, 941, 907, 827, 758, 676, 606, 599, 567, 527, 480, 426, 380 cm–1.
DOI: 10.14272/dmuohkujvvfwet-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (ethyl 4-(4-bromo-2,5-dimethylphenyl)-5-methylthiophene-2-carboxylate)
title: InChI=1S/C16H17BrO2S/c1-5-19-16(18)15-8-13(11(4)20-15)12-6-10(3)14(17)7-9(12)2/h6-8H,5H2,1-4H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3070, 2992, 2978, 2956, 2922, 2860, 2660, 2538, 1751, 1686, 1604, 1544, 1486, 1475, 1448, 1439, 1388, 1364, 1332, 1286, 1241, 1187, 1153, 1116, 1075, 1020, 1007, 982, 921, 897, 877, 863, 820, 764, 754, 730, 718, 701, 684, 666, 650, 601, 545, 496, 472, 452, 429, 401, 380 cm–1.
DOI: 10.14272/gyldxxljmrtvss-uhfffaoysa-n.1
title: N-butylacetamide
title: InChI=1S/C6H13NO/c1-3-4-5-7-6(2)8/h3-5H2,1-2H3,(H,7,8)

description: This dataset contains experimental data from a sample (N-butylacetamide, InChI=1S/C6H13NO/c1-3-4-5-7-6(2)8/h3-5H2,1-2H3,(H,7,8)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/gyldxxljmrtvss-uhfffaoysa-n/ir
title: IR (N-butylacetamide, InChI=1S/C6H13NO/c1-3-4-5-7-6(2)8/h3-5H2,1-2H3,(H,7,8))

description: dataset for IR
      
      IR (ATR, ṽ) = 3291, 3088, 2959, 2931, 2873, 2364, 1718, 1647, 1551, 1458, 1436, 1366, 1292, 1264, 1227, 1152, 1096, 1040, 999, 986, 965, 734, 601, 501, 486, 435, 407, 398, 385 cm–1.
DOI: 10.14272/hkomtrhocrimsr-uhfffaoysa-n.1
title: C17H22O4
title: InChI=1S/C17H22O4/c1-4-5-6-7-8-12-9-14-15(20-3)10-13(19-2)11-16(14)21-17(12)18/h9-11H,4-8H2,1-3H3

description: This dataset contains experimental data from a sample (3-hexyl-5,7-dimethoxychromen-2-one, InChI=1S/C17H22O4/c1-4-5-6-7-8-12-9-14-15(20-3)10-13(19-2)11-16(14)21-17(12)18/h9-11H,4-8H2,1-3H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/hkomtrhocrimsr-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (3-hexyl-5,7-dimethoxychromen-2-one)
title: InChI=1S/C17H22O4/c1-4-5-6-7-8-12-9-14-15(20-3)10-13(19-2)11-16(14)21-17(12)18/h9-11H,4-8H2,1-3H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2949, 2928, 2850, 1728, 1707, 1630, 1609, 1581, 1497, 1455, 1426, 1387, 1364, 1329, 1302, 1249, 1231, 1220, 1200, 1163, 1140, 1112, 1069, 1043, 1014, 993, 929, 881, 841, 802, 764, 730, 715, 662, 643, 612, 560, 530, 489, 433, 401, 377 cm–1.
DOI: 10.14272/mutuztfdnmuqcn-vhdmfrcesa-n.1
title: C12H17N3O8
title: InChI=1S/C12H17N3O8/c1-5(16)20-9-8(4-14-15-13)23-12(19)11(22-7(3)18)10(9)21-6(2)17/h8-12,19H,4H2,1-3H3/t8?,9-,10+,11?,12?/m1/s1

description: This dataset contains experimental data from a sample (InChI=1S/C12H17N3O8/c1-5(16)20-9-8(4-14-15-13)23-12(19)11(22-7(3)18)10(9)21-6(2)17/h8-12,19H,4H2,1-3H3/t8?,9-,10+,11?,12?/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/mutuztfdnmuqcn-vhdmfrcesa-n/ir
title: IR (, InChI=1S/C12H17N3O8/c1-5(16)20-9-8(4-14-15-13)23-12(19)11(22-7(3)18)10(9)21-6(2)17/h8-12,19H,4H2,1-3H3/t8?,9-,10+,11?,12?/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 3476, 2941, 2102, 1744, 1435, 1367, 1211, 1154, 1031, 983, 941, 911, 887, 837, 769, 649, 601, 551, 509, 486, 460, 397 cm–1.
DOI: 10.14272/stqmdrqjsnkuaw-uhfffaoysa-n.1
title: 4-(phenylmethoxycarbonylamino)butanoic acid
title: InChI=1S/C12H15NO4/c14-11(15)7-4-8-13-12(16)17-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,16)(H,14,15)

description: This dataset contains experimental data from a sample (4-(phenylmethoxycarbonylamino)butanoic acid, InChI=1S/C12H15NO4/c14-11(15)7-4-8-13-12(16)17-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,16)(H,14,15)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/stqmdrqjsnkuaw-uhfffaoysa-n/ir.1
title: IR (4-(phenylmethoxycarbonylamino)butanoic acid, InChI=1S/C12H15NO4/c14-11(15)7-4-8-13-12(16)17-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,16)(H,14,15))

description: dataset for IR
      
      IR (ATR, ṽ) = 3322, 3061, 3036, 3030, 2975, 2946, 2920, 2893, 2875, 2726, 2679, 2620, 2569, 2524, 1686, 1535, 1501, 1450, 1425, 1415, 1362, 1315, 1258, 1225, 1209, 1187, 1142, 1103, 1077, 1015, 967, 930, 907, 867, 834, 779, 769, 748, 722, 695, 669, 657, 620, 573, 559, 551, 495, 487, 483, 438 cm–1.
DOI: 10.14272/vowkmwcxvptjjt-uhfffaoysa-n.1
title: C17H22O4
title: InChI=1S/C17H22O4/c1-4-6-7-8-12-9-14-15(19-3)10-13(20-5-2)11-16(14)21-17(12)18/h9-11H,4-8H2,1-3H3

description: This dataset contains experimental data from a sample (7-ethoxy-5-methoxy-3-pentylchromen-2-one, InChI=1S/C17H22O4/c1-4-6-7-8-12-9-14-15(19-3)10-13(20-5-2)11-16(14)21-17(12)18/h9-11H,4-8H2,1-3H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/vowkmwcxvptjjt-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (7-ethoxy-5-methoxy-3-pentylchromen-2-one)
title: InChI=1S/C17H22O4/c1-4-6-7-8-12-9-14-15(19-3)10-13(20-5-2)11-16(14)21-17(12)18/h9-11H,4-8H2,1-3H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3059, 3024, 2987, 2965, 2951, 2918, 2871, 2855, 1719, 1711, 1680, 1617, 1572, 1537, 1499, 1456, 1436, 1421, 1387, 1376, 1364, 1344, 1307, 1297, 1250, 1234, 1223, 1197, 1170, 1154, 1117, 1105, 1068, 1046, 1030, 1013, 995, 973, 922, 905, 889, 865, 838, 822, 785, 775, 746, 710, 667, 638, 632, 610, 583, 559, 540, 491, 440, 416 cm–1.
DOI: 10.14272/ymnlsovgpznuai-uhfffaoysa-n.1
title: C33H24BNO2
title: InChI=1S/C33H24BNO2/c1-33(2)26-13-4-6-15-28(26)35(29-16-7-5-14-27(29)33)21-18-19-31-25(20-21)24-12-9-11-23-22-10-3-8-17-30(22)36-34(37-31)32(23)24/h3-20H,1-2H3

description: This dataset contains experimental data from a sample (10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14,16,18-nonaen-6-yl)-9,9-dimethylacridine, InChI=1S/C33H24BNO2/c1-33(2)26-13-4-6-15-28(26)35(29-16-7-5-14-27(29)33)21-18-19-31-25(20-21)24-12-9-11-23-22-10-3-8-17-30(22)36-34(37-31)32(23)24/h3-20H,1-2H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/ymnlsovgpznuai-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14,16,18-nonaen-6-yl)-9,9-dimethylacridine)
title: InChI=1S/C33H24BNO2/c1-33(2)26-13-4-6-15-28(26)35(29-16-7-5-14-27(29)33)21-18-19-31-25(20-21)24-12-9-11-23-22-10-3-8-17-30(22)36-34(37-31)32(23)24/h3-20H,1-2H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3065, 3032, 2967, 2955, 2946, 2922, 2849, 1601, 1586, 1562, 1503, 1486, 1474, 1446, 1374, 1329, 1289, 1268, 1240, 1209, 1177, 1162, 1132, 1117, 1105, 1091, 1073, 1044, 1024, 964, 930, 877, 860, 838, 828, 810, 783, 752, 740, 665, 630, 616, 567, 544, 532, 510, 483, 424 cm–1.
DOI: 10.14272/argobxhinxwksu-uhfffaoysa-n.1
title: 7-ethoxy-5-methoxychromen-2-one
title: InChI=1S/C12H12O4/c1-3-15-8-6-10(14-2)9-4-5-12(13)16-11(9)7-8/h4-7H,3H2,1-2H3

description: This dataset contains experimental data from a sample (7-ethoxy-5-methoxychromen-2-one, InChI=1S/C12H12O4/c1-3-15-8-6-10(14-2)9-4-5-12(13)16-11(9)7-8/h4-7H,3H2,1-2H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/argobxhinxwksu-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (7-ethoxy-5-methoxychromen-2-one)
title: InChI=1S/C12H12O4/c1-3-15-8-6-10(14-2)9-4-5-12(13)16-11(9)7-8/h4-7H,3H2,1-2H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3089, 3016, 2981, 2940, 2906, 2873, 2855, 2832, 1719, 1609, 1564, 1497, 1454, 1421, 1391, 1376, 1360, 1309, 1242, 1217, 1197, 1183, 1154, 1115, 1105, 1095, 1044, 973, 899, 879, 834, 814, 763, 746, 685, 665, 640, 622, 555, 510, 463, 442, 438, 422 cm–1.
DOI: 10.14272/gtyafzsuniijhw-wkgrdnalsa-n.1
title: C21H27NO11S
title: InChI=1S/C21H27NO11S/c1-11-6-8-16(9-7-11)34(27,28)29-10-17-19(30-13(3)24)20(31-14(4)25)18(22-12(2)23)21(33-17)32-15(5)26/h6-9,17-21H,10H2,1-5H3,(H,22,23)/t17?,18?,19-,20-,21?/m1/s1

description: This dataset contains experimental data from a sample (InChI=1S/C21H27NO11S/c1-11-6-8-16(9-7-11)34(27,28)29-10-17-19(30-13(3)24)20(31-14(4)25)18(22-12(2)23)21(33-17)32-15(5)26/h6-9,17-21H,10H2,1-5H3,(H,22,23)/t17?,18?,19-,20-,21?/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/gtyafzsuniijhw-wkgrdnalsa-n/ir
title: IR (, InChI=1S/C21H27NO11S/c1-11-6-8-16(9-7-11)34(27,28)29-10-17-19(30-13(3)24)20(31-14(4)25)18(22-12(2)23)21(33-17)32-15(5)26/h6-9,17-21H,10H2,1-5H3,(H,22,23)/t17?,18?,19-,20-,21?/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 1745, 1683, 1655, 1558, 1541, 1523, 1507, 1366, 1213, 1190, 1174, 1135, 1095, 1050, 969, 946, 890, 815, 788, 666, 598, 564, 552, 527, 500 cm–1.
DOI: 10.14272/iburwebqgdmtkz-uhfffaoysa-n.1
title: (1-pentylindol-3-yl)-phenylmethanone
title: InChI=1S/C20H21NO/c1-2-3-9-14-21-15-18(17-12-7-8-13-19(17)21)20(22)16-10-5-4-6-11-16/h4-8,10-13,15H,2-3,9,14H2,1H3

description: This dataset contains experimental data from a sample ((1-pentylindol-3-yl)-phenylmethanone, InChI=1S/C20H21NO/c1-2-3-9-14-21-15-18(17-12-7-8-13-19(17)21)20(22)16-10-5-4-6-11-16/h4-8,10-13,15H,2-3,9,14H2,1H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/iburwebqgdmtkz-uhfffaoysa-n/ir
title: IR ((1-pentylindol-3-yl)-phenylmethanone, InChI=1S/C20H21NO/c1-2-3-9-14-21-15-18(17-12-7-8-13-19(17)21)20(22)16-10-5-4-6-11-16/h4-8,10-13,15H,2-3,9,14H2,1H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 2955, 2928, 2870, 2859, 2363, 1720, 1619, 1612, 1598, 1574, 1519, 1482, 1465, 1381, 1341, 1315, 1264, 1228, 1194, 1174, 1156, 1133, 1099, 1072, 1045, 1021, 1013, 973, 929, 905, 873, 796, 772, 744, 715, 697, 669, 616, 606, 585, 572, 490, 428, 405, 397, 382 cm–1.
DOI: 10.14272/okjirpaqvshgfk-uhfffaoysa-n.1
title: 2-acetamidoacetic acid
title: InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)

description: This dataset contains experimental data from a sample (2-acetamidoacetic acid, InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/okjirpaqvshgfk-uhfffaoysa-n/ir
title: IR (2-acetamidoacetic acid, InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8))

description: dataset for IR
      
      IR (ATR, ṽ) = 3349, 2936, 2361, 1943, 1900, 1740, 1717, 1582, 1541, 1456, 1438, 1378, 1350, 1273, 1224, 1135, 1044, 1033, 992, 902, 681, 623, 596, 543, 523, 483, 381 cm–1.
DOI: 10.14272/pwtnetrvgsmrcp-uhfffaoysa-n.1
title: 2-[3,5-bis(4-methylquinolin-2-yl)phenyl]-4-methylquinoline
title: InChI=1S/C36H27N3/c1-22-16-34(37-31-13-7-4-10-28(22)31)25-19-26(35-17-23(2)29-11-5-8-14-32(29)38-35)21-27(20-25)36-18-24(3)30-12-6-9-15-33(30)39-36/h4-21H,1-3H3

description: This dataset contains experimental data from a sample (2-[3,5-bis(4-methylquinolin-2-yl)phenyl]-4-methylquinoline, InChI=1S/C36H27N3/c1-22-16-34(37-31-13-7-4-10-28(22)31)25-19-26(35-17-23(2)29-11-5-8-14-32(29)38-35)21-27(20-25)36-18-24(3)30-12-6-9-15-33(30)39-36/h4-21H,1-3H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/pwtnetrvgsmrcp-uhfffaoysa-n/ir
title: IR (2-[3,5-bis(4-methylquinolin-2-yl)phenyl]-4-methylquinoline, InChI=1S/C36H27N3/c1-22-16-34(37-31-13-7-4-10-28(22)31)25-19-26(35-17-23(2)29-11-5-8-14-32(29)38-35)21-27(20-25)36-18-24(3)30-12-6-9-15-33(30)39-36/h4-21H,1-3H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3050, 3032, 2981, 2971, 2948, 2920, 2875, 2355, 2318, 2243, 2066, 1815, 1756, 1739, 1723, 1711, 1690, 1678, 1662, 1641, 1629, 1595, 1552, 1533, 1507, 1486, 1464, 1444, 1407, 1378, 1370, 1344, 1334, 1315, 1303, 1266, 1232, 1211, 1199, 1158, 1132, 1099, 1083, 1062, 1032, 1017, 979, 936, 909, 871, 860, 852, 783, 761, 746, 703, 691, 579, 555, 538, 524, 498, 481, 467, 422 cm–1.
DOI: 10.14272/roumdnppupsbdl-uhfffaoysa-n.1
title: N,N-diphenyl-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)aniline
title: InChI=1S/C34H29N/c1-3-7-31(8-4-1)35(32-9-5-2-6-10-32)33-23-21-30(22-24-33)34-25-28-16-15-26-11-13-27(14-12-26)17-19-29(34)20-18-28/h1-14,18,20-25H,15-17,19H2

description: This dataset contains experimental data from a sample (N,N-diphenyl-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)aniline, InChI=1S/C34H29N/c1-3-7-31(8-4-1)35(32-9-5-2-6-10-32)33-23-21-30(22-24-33)34-25-28-16-15-26-11-13-27(14-12-26)17-19-29(34)20-18-28/h1-14,18,20-25H,15-17,19H2). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/roumdnppupsbdl-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (N,N-diphenyl-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)aniline)
title: InChI=1S/C34H29N/c1-3-7-31(8-4-1)35(32-9-5-2-6-10-32)33-23-21-30(22-24-33)34-25-28-16-15-26-11-13-27(14-12-26)17-19-29(34)20-18-28/h1-14,18,20-25H,15-17,19H2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3063, 3030, 3006, 2922, 2889, 2851, 2359, 2339, 1743, 1586, 1509, 1484, 1450, 1433, 1413, 1313, 1272, 1217, 1177, 1154, 1113, 1093, 1073, 1030, 1013, 958, 936, 899, 836, 791, 752, 718, 693, 650, 636, 622, 587, 553, 508, 489, 445, 414 cm–1.
DOI: 10.14272/xphqtwdcwqzaoz-uhfffaoysa-n.1
title: C25H33N3O
title: InChI=1S/C25H33N3O/c1-3-5-12-18-27(24(29)20-21-14-8-7-9-15-21)25-22-16-10-11-17-23(22)28(26-25)19-13-6-4-2/h7-11,14-17H,3-6,12-13,18-20H2,1-2H3

description: This dataset contains experimental data from a sample (InChI=1S/C25H33N3O/c1-3-5-12-18-27(24(29)20-21-14-8-7-9-15-21)25-22-16-10-11-17-23(22)28(26-25)19-13-6-4-2/h7-11,14-17H,3-6,12-13,18-20H2,1-2H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/xphqtwdcwqzaoz-uhfffaoysa-n/ir
title: IR (, InChI=1S/C25H33N3O/c1-3-5-12-18-27(24(29)20-21-14-8-7-9-15-21)25-22-16-10-11-17-23(22)28(26-25)19-13-6-4-2/h7-11,14-17H,3-6,12-13,18-20H2,1-2H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 2955, 2929, 2870, 2859, 1663, 1616, 1494, 1455, 1439, 1411, 1385, 1351, 1307, 1266, 1218, 1194, 1157, 1132, 1075, 1031, 1004, 925, 768, 745, 725, 696, 572, 432 cm–1.
DOI: 10.14272/ycykscmnyxmyqe-uhfffaoysa-n.1
title: 3-methyl-N-[7-(trifluoromethyl)-1H-indazol-3-yl]butanamide
title: InChI=1S/C13H14F3N3O/c1-7(2)6-10(20)17-12-8-4-3-5-9(13(14,15)16)11(8)18-19-12/h3-5,7H,6H2,1-2H3,(H2,17,18,19,20)

description: This dataset contains experimental data from a sample (3-methyl-N-[7-(trifluoromethyl)-1H-indazol-3-yl]butanamide, InChI=1S/C13H14F3N3O/c1-7(2)6-10(20)17-12-8-4-3-5-9(13(14,15)16)11(8)18-19-12/h3-5,7H,6H2,1-2H3,(H2,17,18,19,20)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/ycykscmnyxmyqe-uhfffaoysa-n/ir.2
title: IR (3-methyl-N-[7-(trifluoromethyl)-1H-indazol-3-yl]butanamide, InChI=1S/C13H14F3N3O/c1-7(2)6-10(20)17-12-8-4-3-5-9(13(14,15)16)11(8)18-19-12/h3-5,7H,6H2,1-2H3,(H2,17,18,19,20))

description: dataset for IR
      
      IR (ATR, ṽ) = 3271, 3228, 2961, 2936, 2908, 2876, 2360, 2340, 1667, 1605, 1554, 1509, 1458, 1424, 1368, 1354, 1320, 1273, 1242, 1221, 1207, 1157, 1116, 1088, 1051, 994, 965, 946, 928, 914, 891, 864, 839, 798, 752, 728, 688, 659, 632, 598, 579, 548, 517, 496, 408, 384 cm–1.
DOI: 10.14272/yvjcxmcifpundo-uhfffaoysa-n.1
title: 1,3,5-trimethyl-2,4,6-trinitrobenzene
title: InChI=1S/C9H9N3O6/c1-4-7(10(13)14)5(2)9(12(17)18)6(3)8(4)11(15)16/h1-3H3

description: This dataset contains experimental data from a sample (1,3,5-trimethyl-2,4,6-trinitrobenzene, InChI=1S/C9H9N3O6/c1-4-7(10(13)14)5(2)9(12(17)18)6(3)8(4)11(15)16/h1-3H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/yvjcxmcifpundo-uhfffaoysa-n/ir
title: IR (1,3,5-trimethyl-2,4,6-trinitrobenzene, InChI=1S/C9H9N3O6/c1-4-7(10(13)14)5(2)9(12(17)18)6(3)8(4)11(15)16/h1-3H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 2944, 2885, 2359, 2341, 1739, 1597, 1527, 1399, 1393, 1352, 1232, 1217, 1030, 871, 828, 795, 756, 732, 685, 624, 461, 426 cm–1.