cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/viiijfzjkfxogg-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (3-methylchromen-2-one)
title: InChI=1S/C10H8O2/c1-7-6-8-4-2-3-5-9(8)12-10(7)11/h2-6H,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3567, 3393, 3084, 3065, 3041, 3009, 2987, 2951, 2919, 2893, 2854, 2817, 2785, 2557, 2444, 2405, 2351, 2312, 2262, 2184, 2010, 1962, 1926, 1894, 1866, 1827, 1803, 1771, 1759, 1748, 1734, 1698, 1646, 1635, 1606, 1592, 1577, 1558, 1541, 1534, 1521, 1509, 1487, 1462, 1448, 1429, 1380, 1370, 1340, 1324, 1288, 1255, 1220, 1191, 1153, 1122, 1072, 1045, 1030, 1001, 946, 918, 851, 769, 751, 722, 671, 609, 568, 554, 449, 435, 418, 397, 385 cm–1.
DOI: 10.14272/wugbrekosopibz-uhfffaoysa-n.1
title: N-(1H-indazol-3-yl)-2,2-dimethylpropanamide
title: InChI=1S/C12H15N3O/c1-12(2,3)11(16)13-10-8-6-4-5-7-9(8)14-15-10/h4-7H,1-3H3,(H2,13,14,15,16)

description: This dataset contains experimental data from a sample (N-(1H-indazol-3-yl)-2,2-dimethylpropanamide, InChI=1S/C12H15N3O/c1-12(2,3)11(16)13-10-8-6-4-5-7-9(8)14-15-10/h4-7H,1-3H3,(H2,13,14,15,16)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/wugbrekosopibz-uhfffaoysa-n/ir
title: IR (N-(1H-indazol-3-yl)-2,2-dimethylpropanamide, InChI=1S/C12H15N3O/c1-12(2,3)11(16)13-10-8-6-4-5-7-9(8)14-15-10/h4-7H,1-3H3,(H2,13,14,15,16))

description: dataset for IR
      
      IR (ATR, ṽ) = 3295, 3230, 3206, 3179, 3089, 3067, 3054, 2995, 2976, 2962, 2932, 2904, 2871, 2361, 2344, 1635, 1621, 1591, 1538, 1520, 1496, 1479, 1431, 1398, 1363, 1341, 1285, 1248, 1225, 1196, 1145, 1074, 1031, 1000, 936, 928, 902, 846, 766, 742, 725, 646, 632, 608, 577, 552, 503, 459, 428, 404 cm–1.
DOI: 10.14272/yfkuksnqvkmcaq-uhfffaoysa-n.1
title: C24H19F3N2O
title: InChI=1S/C24H19F3N2O/c25-24(26,27)19-12-10-17(11-13-19)15-29-16-18(21-8-4-5-9-22(21)29)14-23(30)28-20-6-2-1-3-7-20/h1-13,16H,14-15H2,(H,28,30)

description: This dataset contains experimental data from a sample (InChI=1S/C24H19F3N2O/c25-24(26,27)19-12-10-17(11-13-19)15-29-16-18(21-8-4-5-9-22(21)29)14-23(30)28-20-6-2-1-3-7-20/h1-13,16H,14-15H2,(H,28,30)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/yfkuksnqvkmcaq-uhfffaoysa-n/ir
title: IR (, InChI=1S/C24H19F3N2O/c25-24(26,27)19-12-10-17(11-13-19)15-29-16-18(21-8-4-5-9-22(21)29)14-23(30)28-20-6-2-1-3-7-20/h1-13,16H,14-15H2,(H,28,30))

description: dataset for IR
      
      IR (ATR, ṽ) = 3282, 3063, 2361, 2342, 1660, 1619, 1596, 1557, 1524, 1499, 1483, 1466, 1439, 1418, 1390, 1375, 1351, 1323, 1312, 1293, 1255, 1166, 1150, 1109, 1065, 1017, 967, 945, 936, 921, 904, 844, 822, 789, 779, 756, 735, 690, 643, 605, 591, 568, 544, 526, 514, 496, 426, 404, 375 cm–1.
DOI: 10.25345/c5835x
title: MassIVE MSV000084016 - Carnitine Blood Serum Samples- Acute and Chronic Stage - Positive Mode
title: Blood serum samples were extracted from mice and examined in positive mode on Polar C-18 Column using Q Exactive LCMS untargeted run.
DOI: 10.14272/asdusqiqatuekd-uhfffaoysa-n.1
title: 1-[[4-(trifluoromethyl)phenyl]methyl]indole
title: InChI=1S/C16H12F3N/c17-16(18,19)14-7-5-12(6-8-14)11-20-10-9-13-3-1-2-4-15(13)20/h1-10H,11H2

description: This dataset contains experimental data from a sample (1-[[4-(trifluoromethyl)phenyl]methyl]indole, InChI=1S/C16H12F3N/c17-16(18,19)14-7-5-12(6-8-14)11-20-10-9-13-3-1-2-4-15(13)20/h1-10H,11H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/asdusqiqatuekd-uhfffaoysa-n/ir
title: IR (1-[[4-(trifluoromethyl)phenyl]methyl]indole, InChI=1S/C16H12F3N/c17-16(18,19)14-7-5-12(6-8-14)11-20-10-9-13-3-1-2-4-15(13)20/h1-10H,11H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 3055, 2932, 2361, 1891, 1720, 1619, 1588, 1511, 1485, 1462, 1438, 1421, 1397, 1356, 1322, 1258, 1180, 1154, 1106, 1064, 1043, 1016, 967, 942, 929, 882, 844, 832, 819, 764, 745, 724, 642, 633, 591, 571, 545, 492, 459, 425, 411, 394 cm–1.
DOI: 10.14272/hrojwoxfezymgl-uhfffaoysa-n.1
title: 3-(3-oxo-4H-quinoxalin-2-yl)propanoic acid
title: InChI=1S/C11H10N2O3/c14-10(15)6-5-9-11(16)13-8-4-2-1-3-7(8)12-9/h1-4H,5-6H2,(H,13,16)(H,14,15)

description: This dataset contains experimental data from a sample (3-(3-oxo-4H-quinoxalin-2-yl)propanoic acid, InChI=1S/C11H10N2O3/c14-10(15)6-5-9-11(16)13-8-4-2-1-3-7(8)12-9/h1-4H,5-6H2,(H,13,16)(H,14,15)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/hrojwoxfezymgl-uhfffaoysa-n/ir
title: IR (3-(3-oxo-4H-quinoxalin-2-yl)propanoic acid, InChI=1S/C11H10N2O3/c14-10(15)6-5-9-11(16)13-8-4-2-1-3-7(8)12-9/h1-4H,5-6H2,(H,13,16)(H,14,15))

description: dataset for IR
      
      IR (ATR, ṽ) = 3156, 3102, 3077, 3016, 2982, 2911, 2847, 2768, 2707, 2681, 2633, 2604, 2580, 2540, 2506, 2497, 2468, 2425, 2417, 2361, 2343, 1681, 1636, 1561, 1497, 1443, 1424, 1343, 1313, 1279, 1266, 1235, 1213, 1156, 1145, 1118, 1064, 938, 840, 809, 773, 761, 742, 710, 656, 616, 591, 564, 524, 516, 490, 482, 470, 421 cm–1.
DOI: 10.14272/jwuggvmkzcvaae-uhfffaoysa-n.2
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.1
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/jzdidtzrrzbtnf-uhfffaoysa-n.1
title: N-(1-benzoylindazol-3-yl)benzamide
title: InChI=1S/C21H15N3O2/c25-20(15-9-3-1-4-10-15)22-19-17-13-7-8-14-18(17)24(23-19)21(26)16-11-5-2-6-12-16/h1-14H,(H,22,23,25)

description: This dataset contains experimental data from a sample (N-(1-benzoylindazol-3-yl)benzamide, InChI=1S/C21H15N3O2/c25-20(15-9-3-1-4-10-15)22-19-17-13-7-8-14-18(17)24(23-19)21(26)16-11-5-2-6-12-16/h1-14H,(H,22,23,25)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/sdtzmmhgvhgejq-uhfffaoysa-n/ir
title: IR (tert-butyl 3-[(2-oxo-2-phenylmethoxyethyl)amino]propanoate, InChI=1S/C16H23NO4/c1-16(2,3)21-14(18)9-10-17-11-15(19)20-12-13-7-5-4-6-8-13/h4-8,17H,9-12H2,1-3H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3336, 3063, 3031, 3006, 2976, 2931, 2870, 2347, 1868, 1846, 1826, 1724, 1684, 1653, 1635, 1606, 1558, 1541, 1520, 1507, 1497, 1472, 1456, 1438, 1418, 1392, 1366, 1340, 1330, 1251, 1211, 1143, 1084, 1050, 1027, 1003, 992, 952, 918, 846, 749, 737, 697, 611, 594, 579, 503, 492, 459, 429, 418, 398, 384 cm–1.
DOI: 10.14272/twmfzplyrdreng-uhfffaoysa-n.1
title: C28H25F3N2O3
title: InChI=1S/C28H25F3N2O3/c1-36-27(35)24(15-19-7-3-2-4-8-19)32-26(34)16-21-18-33(25-10-6-5-9-23(21)25)17-20-11-13-22(14-12-20)28(29,30)31/h2-14,18,24H,15-17H2,1H3,(H,32,34)

description: This dataset contains experimental data from a sample (InChI=1S/C28H25F3N2O3/c1-36-27(35)24(15-19-7-3-2-4-8-19)32-26(34)16-21-18-33(25-10-6-5-9-23(21)25)17-20-11-13-22(14-12-20)28(29,30)31/h2-14,18,24H,15-17H2,1H3,(H,32,34)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/twmfzplyrdreng-uhfffaoysa-n/ir
title: IR (, InChI=1S/C28H25F3N2O3/c1-36-27(35)24(15-19-7-3-2-4-8-19)32-26(34)16-21-18-33(25-10-6-5-9-23(21)25)17-20-11-13-22(14-12-20)28(29,30)31/h2-14,18,24H,15-17H2,1H3,(H,32,34))

description: dataset for IR
      
      IR (ATR, ṽ) = 3316, 3036, 2919, 2361, 2340, 1751, 1649, 1619, 1555, 1519, 1499, 1480, 1468, 1439, 1421, 1392, 1375, 1363, 1327, 1293, 1275, 1266, 1218, 1191, 1177, 1157, 1109, 1068, 1045, 1017, 994, 969, 946, 924, 839, 805, 783, 755, 744, 730, 701, 687, 659, 640, 601, 592, 574, 555, 534, 513, 487, 426, 399 cm–1.
DOI: 10.14272/wwdyhykwtbbwjr-uhfffaoysa-n.1
title: C21H20N2O
title: InChI=1S/C21H20N2O/c1-3-4-11-23-14-19(18-12-16(13-22)7-10-20(18)23)21(24)17-8-5-15(2)6-9-17/h5-10,12,14H,3-4,11H2,1-2H3

description: This dataset contains experimental data from a sample (InChI=1S/C21H20N2O/c1-3-4-11-23-14-19(18-12-16(13-22)7-10-20(18)23)21(24)17-8-5-15(2)6-9-17/h5-10,12,14H,3-4,11H2,1-2H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/wwdyhykwtbbwjr-uhfffaoysa-n/ir
title: IR (, InChI=1S/C21H20N2O/c1-3-4-11-23-14-19(18-12-16(13-22)7-10-20(18)23)21(24)17-8-5-15(2)6-9-17/h5-10,12,14H,3-4,11H2,1-2H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3118, 3031, 2959, 2931, 2864, 2361, 2342, 2330, 2223, 1672, 1622, 1612, 1602, 1567, 1521, 1475, 1456, 1394, 1378, 1317, 1288, 1264, 1239, 1197, 1180, 1162, 1142, 1128, 1091, 1034, 1016, 1006, 965, 915, 902, 890, 841, 833, 800, 786, 766, 741, 704, 684, 647, 636, 626, 611, 585, 541, 497, 486, 467, 419 cm–1.
DOI: 10.14272/fykhxlfwvvmxly-uhfffaoysa-n.1
title: C27H24F2N2O3
title: InChI=1S/C27H24F2N2O3/c1-34-27(33)24(13-18-7-3-2-4-8-18)30-26(32)14-20-17-31(25-10-6-5-9-23(20)25)16-19-11-21(28)15-22(29)12-19/h2-12,15,17,24H,13-14,16H2,1H3,(H,30,32)

description: This dataset contains experimental data from a sample (InChI=1S/C27H24F2N2O3/c1-34-27(33)24(13-18-7-3-2-4-8-18)30-26(32)14-20-17-31(25-10-6-5-9-23(20)25)16-19-11-21(28)15-22(29)12-19/h2-12,15,17,24H,13-14,16H2,1H3,(H,30,32)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/fykhxlfwvvmxly-uhfffaoysa-n/ir
title: IR (, InChI=1S/C27H24F2N2O3/c1-34-27(33)24(13-18-7-3-2-4-8-18)30-26(32)14-20-17-31(25-10-6-5-9-23(20)25)16-19-11-21(28)15-22(29)12-19/h2-12,15,17,24H,13-14,16H2,1H3,(H,30,32))

description: dataset for IR
      
      IR (ATR, ṽ) = 3312, 3080, 3063, 3027, 2956, 2934, 2915, 2359, 2342, 2332, 1754, 1646, 1626, 1599, 1555, 1519, 1497, 1482, 1466, 1438, 1424, 1391, 1375, 1349, 1336, 1312, 1268, 1218, 1205, 1194, 1170, 1160, 1149, 1116, 1086, 1044, 1014, 994, 970, 949, 924, 856, 806, 783, 759, 737, 704, 671, 657, 647, 605, 572, 557, 548, 511, 487, 426, 395 cm–1.
DOI: 10.14272/jzdidtzrrzbtnf-uhfffaoysa-n/ir
title: IR (N-(1-benzoylindazol-3-yl)benzamide, InChI=1S/C21H15N3O2/c25-20(15-9-3-1-4-10-15)22-19-17-13-7-8-14-18(17)24(23-19)21(26)16-11-5-2-6-12-16/h1-14H,(H,22,23,25))

description: dataset for IR
      
      IR (ATR, ṽ) = 3284, 3064, 2924, 2360, 2340, 2332, 1684, 1656, 1599, 1589, 1578, 1541, 1486, 1469, 1448, 1431, 1395, 1375, 1364, 1329, 1289, 1271, 1232, 1186, 1162, 1137, 1102, 1074, 1052, 1026, 1014, 1001, 976, 928, 909, 880, 853, 809, 792, 766, 749, 718, 703, 690, 674, 650, 625, 613, 602, 567, 560, 493, 482, 445, 425, 402, 385 cm–1.
DOI: 10.14272/vxtwrfzyixroap-uhfffaoysa-n.1
title: C24H28N2O3
title: InChI=1S/C24H28N2O3/c1-3-4-14-26-17-19(20-12-8-9-13-22(20)26)16-23(27)25-21(24(28)29-2)15-18-10-6-5-7-11-18/h5-13,17,21H,3-4,14-16H2,1-2H3,(H,25,27)

description: This dataset contains experimental data from a sample (InChI=1S/C24H28N2O3/c1-3-4-14-26-17-19(20-12-8-9-13-22(20)26)16-23(27)25-21(24(28)29-2)15-18-10-6-5-7-11-18/h5-13,17,21H,3-4,14-16H2,1-2H3,(H,25,27)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/vxtwrfzyixroap-uhfffaoysa-n/ir
title: IR (, InChI=1S/C24H28N2O3/c1-3-4-14-26-17-19(20-12-8-9-13-22(20)26)16-23(27)25-21(24(28)29-2)15-18-10-6-5-7-11-18/h5-13,17,21H,3-4,14-16H2,1-2H3,(H,25,27))

description: dataset for IR
      
      IR (ATR, ṽ) = 3308, 3275, 3044, 2953, 2928, 2870, 2364, 1744, 1732, 1672, 1647, 1541, 1499, 1479, 1465, 1456, 1435, 1392, 1366, 1333, 1299, 1285, 1261, 1251, 1220, 1207, 1177, 1147, 1112, 1085, 1043, 1013, 1001, 986, 956, 936, 926, 878, 832, 796, 765, 752, 742, 731, 701, 613, 596, 575, 552, 516, 486, 426, 409 cm–1.
DOI: 10.14272/weqobxhukdtnqy-uhfffaoysa-n.1
title: 4-ethoxy-2-hydroxy-6-methoxybenzaldehyde
title: InChI=1S/C10H12O4/c1-3-14-7-4-9(12)8(6-11)10(5-7)13-2/h4-6,12H,3H2,1-2H3

description: This dataset contains experimental data from a sample (4-ethoxy-2-hydroxy-6-methoxybenzaldehyde, InChI=1S/C10H12O4/c1-3-14-7-4-9(12)8(6-11)10(5-7)13-2/h4-6,12H,3H2,1-2H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/weqobxhukdtnqy-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (4-ethoxy-2-hydroxy-6-methoxybenzaldehyde)
title: InChI=1S/C10H12O4/c1-3-14-7-4-9(12)8(6-11)10(5-7)13-2/h4-6,12H,3H2,1-2H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3080, 3009, 2990, 2976, 2948, 2928, 2898, 2850, 2738, 2361, 2343, 1638, 1608, 1582, 1499, 1468, 1453, 1426, 1398, 1375, 1367, 1330, 1295, 1220, 1198, 1167, 1118, 1045, 1017, 966, 881, 846, 812, 732, 694, 662, 637, 540, 518, 470, 412 cm–1.
DOI: 10.14272/xczvbgqhmcfxsf-uhfffaoysa-n.1
title: 3-[3-chloro-1-(1,3-dithiolan-2-ylidene)propyl]cyclohexan-1-one
title: InChI=1S/C12H17ClOS2/c13-5-4-11(12-15-6-7-16-12)9-2-1-3-10(14)8-9/h9H,1-8H2

description: This dataset contains experimental data from a sample (3-[3-chloro-1-(1,3-dithiolan-2-ylidene)propyl]cyclohexan-1-one, InChI=1S/C12H17ClOS2/c13-5-4-11(12-15-6-7-16-12)9-2-1-3-10(14)8-9/h9H,1-8H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/xczvbgqhmcfxsf-uhfffaoysa-n/ir.1
title: IR (3-[3-chloro-1-(1,3-dithiolan-2-ylidene)propyl]cyclohexan-1-one, InChI=1S/C12H17ClOS2/c13-5-4-11(12-15-6-7-16-12)9-2-1-3-10(14)8-9/h9H,1-8H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 2979, 2958, 2924, 2861, 2359, 1697, 1578, 1451, 1431, 1418, 1354, 1341, 1326, 1313, 1282, 1268, 1259, 1245, 1217, 1179, 1139, 1102, 1074, 1050, 1034, 1023, 1013, 980, 938, 909, 874, 850, 820, 773, 765, 725, 686, 669, 626, 613, 514, 504, 467, 448, 425, 394 cm–1.
DOI: 10.21421/d2/uqe8ue
title: Reaction of selected medium duration breeding lines to groundnut rosette disease in Malawi during the year 2017

description: Research work carried out to identify promising groundnut breeding lines with resistance to groundnut rosette disease. The experiment was carried out in Chitedze research station during the 2016-2017 growing season. The infector row technique was used to induce a high disease pressure. At sowing time, one infector row of susceptible cultivar was sown after every two contiguous rows of test lines, such that every test row was adjacent to one infector row. Six weeks before planting on the field, a large number of seedlings were raised in the green house and inoculated with Groundnut Rosette Virus (GRV), using a greenhouse culture of viruliferous aphids, which had been reared on GRV-infected plants. These were then transplanted into the infector rows at 1.5-2 m spacing. Each test line was assessed for disease incidence at 8 weeks and 12 weeks after sowing. The total number of plants in each plot and the number of plants showing rosette symptoms with severe stunting are counted and percentage of disease incidence computed. Plants showing severe symptoms are stunted and bushy in appearance due to reduced internodes length. Leaves of the infected plants are reduced in size and the plants do not produce pods. Breeding lines were considered resistant when no susceptible plants were found within the complete entry (0% incidence), highly susceptible when no resistant plants were present (100% incidence) and moderately resistant when at least one plant within the entry has mild symptoms (&lt; 10% incidence).    Experiment location on Google Map
DOI: 10.25345/c54d2n
title: MassIVE MSV000084017 - Carnitine Blood Serum Samples - Acute and Chronic Negative Mode
title: Blood Serum Samples were extracted from mice and examined in negative mode on Polar C-18 Column using Q Exactive LCMS untargeted run.
DOI: 10.14272/djingzqbqmfkgx-uhfffaoysa-n.2
title: C17H14BrN
title: InChI=1S/C17H14BrN/c18-17-10-13-2-6-14-5-1-12(9-16(14)11-19)3-7-15(17)8-4-13/h1,4-5,8-10H,2-3,6-7H2

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

description: dataset for IR
      
      IR (ATR, ṽ) = 402, 475, 500, 613, 650, 669, 710, 836, 870, 891, 905, 952, 1031, 1120, 1154, 1187, 1224, 1317, 1388, 1402, 1432, 1446, 1475, 1538, 1584, 1904, 2215, 2361, 2851, 2932, 2966, 3012 cm–1.
DOI: 10.14272/jbhussaubjvujg-uhfffaoysa-n.1
title: C24H22O4
title: InChI=1S/C24H22O4/c1-15-13-19(23(25)27-3)9-11-21(15)17-5-7-18(8-6-17)22-12-10-20(14-16(22)2)24(26)28-4/h5-14H,1-4H3

description: This dataset contains experimental data from a sample (methyl 4-[4-(4-methoxycarbonyl-2-methylphenyl)phenyl]-3-methylbenzoate, InChI=1S/C24H22O4/c1-15-13-19(23(25)27-3)9-11-21(15)17-5-7-18(8-6-17)22-12-10-20(14-16(22)2)24(26)28-4/h5-14H,1-4H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/jbhussaubjvujg-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (methyl 4-[4-(4-methoxycarbonyl-2-methylphenyl)phenyl]-3-methylbenzoate)
title: InChI=1S/C24H22O4/c1-15-13-19(23(25)27-3)9-11-21(15)17-5-7-18(8-6-17)22-12-10-20(14-16(22)2)24(26)28-4/h5-14H,1-4H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3422, 3053, 3029, 2982, 2953, 2922, 2850, 1919, 1772, 1718, 1606, 1564, 1523, 1485, 1451, 1435, 1409, 1391, 1333, 1282, 1265, 1242, 1194, 1133, 1108, 1040, 1034, 1006, 977, 933, 912, 882, 854, 830, 789, 765, 721, 609, 596, 565, 540, 506, 493, 449, 415, 377 cm–1.
DOI: 10.14272/mxjjmqskdpnpsx-uhfffaoysa-n.1
title: 1-ethynyl-4-(4-ethynylphenyl)benzene
title: InChI=1S/C16H10/c1-3-13-5-9-15(10-6-13)16-11-7-14(4-2)8-12-16/h1-2,5-12H

description: This dataset contains experimental data from a sample (1-ethynyl-4-(4-ethynylphenyl)benzene, InChI=1S/C16H10/c1-3-13-5-9-15(10-6-13)16-11-7-14(4-2)8-12-16/h1-2,5-12H).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/mxjjmqskdpnpsx-uhfffaoysa-n/ir
title: IR (1-ethynyl-4-(4-ethynylphenyl)benzene, InChI=1S/C16H10/c1-3-13-5-9-15(10-6-13)16-11-7-14(4-2)8-12-16/h1-2,5-12H)

description: dataset for IR
      
      IR (ATR, ṽ) = 402, 439, 465, 513, 545, 565, 629, 645, 657, 674, 742, 822, 857, 967, 1003, 1106, 1252, 1392, 1487, 1601, 1918, 2104, 2357, 3034, 3271 cm–1.
DOI: 10.14272/rfllhtveiizfbb-uhfffaoysa-n.1
title: C12H14S
title: InChI=1S/C12H14S/c1-9-4-2-3-5-11(9)13-12-6-10(7-12)8-12/h2-5,10H,6-8H2,1H3

description: This dataset contains experimental data from a sample (1-(2-methylphenyl)sulfanylbicyclo[1.1.1]pentane, InChI=1S/C12H14S/c1-9-4-2-3-5-11(9)13-12-6-10(7-12)8-12/h2-5,10H,6-8H2,1H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/rfllhtveiizfbb-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (1-(2-methylphenyl)sulfanylbicyclo[1.1.1]pentane)
title: InChI=1S/C12H14S/c1-9-4-2-3-5-11(9)13-12-6-10(7-12)8-12/h2-5,10H,6-8H2,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 425, 458, 554, 679, 711, 748, 897, 924, 1035, 1045, 1061, 1128, 1203, 1271, 1378, 1455, 1469, 1589, 2343, 2364, 2874, 2910, 2978, 3055 cm–1.
DOI: 10.14272/xlyphugukgmure-uhfffaoysa-n.1
title: 5-hydroxy-2-nitrobenzaldehyde
title: InChI=1S/C7H5NO4/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-4,10H

description: This dataset contains experimental data from a sample (5-hydroxy-2-nitrobenzaldehyde, InChI=1S/C7H5NO4/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-4,10H).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/kqoqpbxlvdnelo-uhfffaoysa-n/ir
title: IR (, InChI=1S/C16H25NO4Si/c1-11(2)22(12(3)4,13(5)6)21-15-7-8-16(17(19)20)14(9-15)10-18/h7-13H,1-6H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3104, 3081, 2945, 2893, 2867, 2732, 2621, 1698, 1598, 1579, 1517, 1480, 1463, 1417, 1384, 1339, 1295, 1234, 1160, 1072, 1014, 994, 919, 881, 841, 816, 756, 722, 686, 663, 594, 544, 531, 458, 416 cm–1.
DOI: 10.14272/omorbshrebrxko-uhfffaoysa-n.1
title: ethyl (3-formylphenyl) carbonate
title: InChI=1S/C10H10O4/c1-2-13-10(12)14-9-5-3-4-8(6-9)7-11/h3-7H,2H2,1H3

description: This dataset contains experimental data from a sample (ethyl (3-formylphenyl) carbonate, InChI=1S/C10H10O4/c1-2-13-10(12)14-9-5-3-4-8(6-9)7-11/h3-7H,2H2,1H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/omorbshrebrxko-uhfffaoysa-n/ir
title: IR (ethyl (3-formylphenyl) carbonate, InChI=1S/C10H10O4/c1-2-13-10(12)14-9-5-3-4-8(6-9)7-11/h3-7H,2H2,1H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3078, 2989, 2945, 2910, 2827, 2731, 1758, 1697, 1608, 1589, 1482, 1468, 1449, 1418, 1391, 1368, 1303, 1258, 1217, 1166, 1145, 1115, 1096, 1078, 1058, 1006, 994, 933, 915, 881, 779, 764, 732, 717, 679, 646, 562, 545, 523, 441, 415, 381 cm–1.
DOI: 10.14272/ophzseabtwhykh-uhfffaoysa-n.1
title: C21H16O4
title: InChI=1S/C21H16O4/c1-13-12-18(14-2-6-16(7-3-14)20(22)23)10-11-19(13)15-4-8-17(9-5-15)21(24)25/h2-12H,1H3,(H,22,23)(H,24,25)

description: This dataset contains experimental data from a sample (4-[4-(4-carboxyphenyl)-3-methylphenyl]benzoic acid, InChI=1S/C21H16O4/c1-13-12-18(14-2-6-16(7-3-14)20(22)23)10-11-19(13)15-4-8-17(9-5-15)21(24)25/h2-12H,1H3,(H,22,23)(H,24,25)). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/wdeqgldwzmimjm-nepjuhhusa-n.1
title: benzyl (2R,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
title: InChI=1S/C13H17NO4/c15-8-11-6-12(16)7-14(11)13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,15-16H,6-9H2/t11-,12+/m1/s1

description: This dataset contains experimental data from a sample (benzyl (2R,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate, InChI=1S/C13H17NO4/c15-8-11-6-12(16)7-14(11)13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,15-16H,6-9H2/t11-,12+/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/wdeqgldwzmimjm-nepjuhhusa-n/ir
title: IR (benzyl (2R,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate, InChI=1S/C13H17NO4/c15-8-11-6-12(16)7-14(11)13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,15-16H,6-9H2/t11-,12+/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 3374, 3089, 3065, 3033, 2942, 2881, 1670, 1587, 1540, 1499, 1453, 1418, 1357, 1288, 1231, 1211, 1191, 1176, 1116, 1079, 1050, 1004, 977, 911, 882, 866, 822, 798, 769, 738, 697, 643, 603, 550, 496, 460, 416, 401 cm–1.
DOI: 10.14272/xdsnnvukvktmcb-uhfffaoysa-n.1
title: ethyl (3-formyl-4-nitrophenyl) carbonate
title: InChI=1S/C10H9NO6/c1-2-16-10(13)17-8-3-4-9(11(14)15)7(5-8)6-12/h3-6H,2H2,1H3

description: This dataset contains experimental data from a sample (ethyl (3-formyl-4-nitrophenyl) carbonate, InChI=1S/C10H9NO6/c1-2-16-10(13)17-8-3-4-9(11(14)15)7(5-8)6-12/h3-6H,2H2,1H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/xdsnnvukvktmcb-uhfffaoysa-n/ir
title: IR (ethyl (3-formyl-4-nitrophenyl) carbonate, InChI=1S/C10H9NO6/c1-2-16-10(13)17-8-3-4-9(11(14)15)7(5-8)6-12/h3-6H,2H2,1H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3500, 3366, 3111, 3072, 3017, 2992, 2949, 2917, 2864, 2638, 2424, 1946, 1756, 1714, 1689, 1612, 1587, 1558, 1528, 1504, 1477, 1451, 1397, 1374, 1353, 1320, 1286, 1256, 1218, 1156, 1143, 1115, 1085, 1052, 1001, 956, 894, 878, 851, 778, 756, 732, 686, 671, 632, 581, 531, 469, 438, 412, 405, 385 cm–1.