cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/affnjubbzuqaaf-ijtctnlasa-n.1
title: C49H56BrClFN3O10
title: InChI=1S/C49H56BrClFN3O10/c1-25(2)33-17-16-26(3)18-40(33)65-46(58)36-24-39(49(61)64-6)55(43(36)29-12-9-15-32(52)21-29)45(57)35-23-38(48(60)63-5)54(42(35)28-11-8-14-31(51)20-28)44(56)34-22-37(47(59)62-4)53-41(34)27-10-7-13-30(50)19-27/h7-15,19-21,25-26,33-43,53H,16-18,22-24H2,1-6H3/t26-,33+,34+,35-,36+,37+,38-,39+,40-,41+,42-,43+/m1/s1

description: This dataset contains experimental data from a sample (InChI=1S/C49H56BrClFN3O10/c1-25(2)33-17-16-26(3)18-40(33)65-46(58)36-24-39(49(61)64-6)55(43(36)29-12-9-15-32(52)21-29)45(57)35-23-38(48(60)63-5)54(42(35)28-11-8-14-31(51)20-28)44(56)34-22-37(47(59)62-4)53-41(34)27-10-7-13-30(50)19-27/h7-15,19-21,25-26,33-43,53H,16-18,22-24H2,1-6H3/t26-,33+,34+,35-,36+,37+,38-,39+,40-,41+,42-,43+/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/affnjubbzuqaaf-ijtctnlasa-n/ir
title: IR (, InChI=1S/C49H56BrClFN3O10/c1-25(2)33-17-16-26(3)18-40(33)65-46(58)36-24-39(49(61)64-6)55(43(36)29-12-9-15-32(52)21-29)45(57)35-23-38(48(60)63-5)54(42(35)28-11-8-14-31(51)20-28)44(56)34-22-37(47(59)62-4)53-41(34)27-10-7-13-30(50)19-27/h7-15,19-21,25-26,33-43,53H,16-18,22-24H2,1-6H3/t26-,33+,34+,35-,36+,37+,38-,39+,40-,41+,42-,43+/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 2952, 2864, 2364, 2340, 1734, 1656, 1592, 1472, 1434, 1415, 1368, 1313, 1283, 1247, 1238, 1198, 1176, 1096, 1079, 1010, 999, 982, 912, 874, 844, 788, 739, 694, 518, 482, 472, 436, 397, 385 cm–1.
DOI: 10.14272/dhgkmtqzghdraz-uhfffaoysa-n.1
title: 5-(4-bromophenyl)penta-2,4-diyn-1-ol
title: InChI=1S/C11H7BrO/c12-11-7-5-10(6-8-11)4-2-1-3-9-13/h5-8,13H,9H2

description: This dataset contains experimental data from a sample (5-(4-bromophenyl)penta-2,4-diyn-1-ol, InChI=1S/C11H7BrO/c12-11-7-5-10(6-8-11)4-2-1-3-9-13/h5-8,13H,9H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/dhgkmtqzghdraz-uhfffaoysa-n/ir
title: IR (5-(4-bromophenyl)penta-2,4-diyn-1-ol, InChI=1S/C11H7BrO/c12-11-7-5-10(6-8-11)4-2-1-3-9-13/h5-8,13H,9H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 1064, 1018, 1009, 966, 817, 800, 691, 543, 520, 441, 375 cm–1.
DOI: 10.14272/fjoynmrzubuggp-qzzuvkmmsa-n.1
title: C12H21N3O10
title: InChI=1S/C12H21N3O10/c13-15-14-11-8(21)7(20)10(4(2-17)23-11)25-12-9(22)6(19)5(18)3(1-16)24-12/h3-12,16-22H,1-2H2/t3?,4?,5-,6+,7-,8?,9?,10-,11+,12-/m1/s1

description: This dataset contains experimental data from a sample (InChI=1S/C12H21N3O10/c13-15-14-11-8(21)7(20)10(4(2-17)23-11)25-12-9(22)6(19)5(18)3(1-16)24-12/h3-12,16-22H,1-2H2/t3?,4?,5-,6+,7-,8?,9?,10-,11+,12-/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/fjoynmrzubuggp-qzzuvkmmsa-n/ir
title: IR (, InChI=1S/C12H21N3O10/c13-15-14-11-8(21)7(20)10(4(2-17)23-11)25-12-9(22)6(19)5(18)3(1-16)24-12/h3-12,16-22H,1-2H2/t3?,4?,5-,6+,7-,8?,9?,10-,11+,12-/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 3336, 2932, 2472, 2116, 1647, 1411, 1242, 1099, 1048, 984, 942, 795, 543 cm–1.
DOI: 10.14272/igxpacnyqzqiqh-uhfffaoysa-n.1
title: C19H18O5
title: InChI=1S/C19H18O5/c1-21-14-10-17(23-3)15-9-13(19(20)24-18(15)11-14)8-12-6-4-5-7-16(12)22-2/h4-7,9-11H,8H2,1-3H3

description: This dataset contains experimental data from a sample (5,7-dimethoxy-3-[(2-methoxyphenyl)methyl]chromen-2-one, InChI=1S/C19H18O5/c1-21-14-10-17(23-3)15-9-13(19(20)24-18(15)11-14)8-12-6-4-5-7-16(12)22-2/h4-7,9-11H,8H2,1-3H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/igxpacnyqzqiqh-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (5,7-dimethoxy-3-[(2-methoxyphenyl)methyl]chromen-2-one)
title: InChI=1S/C19H18O5/c1-21-14-10-17(23-3)15-9-13(19(20)24-18(15)11-14)8-12-6-4-5-7-16(12)22-2/h4-7,9-11H,8H2,1-3H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2938, 2918, 2836, 1700, 1599, 1492, 1459, 1424, 1381, 1366, 1323, 1315, 1298, 1285, 1242, 1228, 1207, 1194, 1145, 1109, 1050, 1024, 1000, 949, 935, 898, 878, 829, 769, 752, 725, 687, 664, 642, 613, 598, 565, 547, 520, 476, 409, 375 cm–1.
DOI: 10.14272/ihcqzqppncxkrm-uhfffaoysa-n.1
title: C11H11ClS
title: InChI=1S/C11H11ClS/c12-9-2-1-3-10(4-9)13-11-5-8(6-11)7-11/h1-4,8H,5-7H2

description: This dataset contains experimental data from a sample (1-(3-chlorophenyl)sulfanylbicyclo[1.1.1]pentane, InChI=1S/C11H11ClS/c12-9-2-1-3-10(4-9)13-11-5-8(6-11)7-11/h1-4,8H,5-7H2). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/ihcqzqppncxkrm-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (1-(3-chlorophenyl)sulfanylbicyclo[1.1.1]pentane)
title: InChI=1S/C11H11ClS/c12-9-2-1-3-10(4-9)13-11-5-8(6-11)7-11/h1-4,8H,5-7H2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2980, 2908, 2876, 1575, 1561, 1459, 1400, 1205, 1129, 1082, 1071, 892, 778, 681, 664, 426 cm–1. IR (ATR, ṽ) = 2980, 2908, 2876, 1575, 1561, 1459, 1400, 1205, 1129, 1082, 1071, 892, 778, 681, 664, 426 cm–1.
DOI: 10.14272/iwknnnhecvvjth-yujrmfemsa-n.1
title: [(3R,4S)-4,5,6-triacetyloxy-2-[(4-methylphenyl)sulfonyloxymethyl]oxan-3-yl] acetate
title: InChI=1S/C21H26O12S/c1-11-6-8-16(9-7-11)34(26,27)28-10-17-18(29-12(2)22)19(30-13(3)23)20(31-14(4)24)21(33-17)32-15(5)25/h6-9,17-21H,10H2,1-5H3/t17?,18-,19+,20?,21?/m1/s1

description: This dataset contains experimental data from a sample ([(3R,4S)-4,5,6-triacetyloxy-2-[(4-methylphenyl)sulfonyloxymethyl]oxan-3-yl] acetate, InChI=1S/C21H26O12S/c1-11-6-8-16(9-7-11)34(26,27)28-10-17-18(29-12(2)22)19(30-13(3)23)20(31-14(4)24)21(33-17)32-15(5)25/h6-9,17-21H,10H2,1-5H3/t17?,18-,19+,20?,21?/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/rjoywtpjyznrjd-uhfffaoysa-n.4
title: C16H15Br
title: InChI=1S/C16H15Br/c17-16-11-14-6-5-12-1-3-13(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 (InChI=1S/C16H15Br/c17-16-11-14-6-5-12-1-3-13(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/rjoywtpjyznrjd-uhfffaoysa-n/ir.2
title: IR (, InChI=1S/C16H15Br/c17-16-11-14-6-5-12-1-3-13(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) = 3040, 3012, 2952, 2925, 2885, 2849, 2361, 2340, 2186, 1892, 1588, 1543, 1497, 1477, 1448, 1432, 1411, 1390, 1317, 1290, 1269, 1234, 1205, 1180, 1156, 1126, 1086, 1033, 953, 938, 898, 875, 840, 806, 789, 718, 708, 691, 667, 643, 622, 577, 543, 509, 475, 460, 405, 382 cm–1.
DOI: 10.14272/xpvnjwfreshulb-uhfffaoysa-n/ir
title: IR (, InChI=1S/C21H22F3N3O/c1-2-3-7-13-27-19-16(11-8-12-17(19)21(22,23)24)20(26-27)25-18(28)14-15-9-5-4-6-10-15/h4-6,8-12H,2-3,7,13-14H2,1H3,(H,25,26,28))

description: dataset for IR
      
      IR (ATR, ṽ) = 3255, 3214, 3169, 3101, 3087, 3060, 3034, 2961, 2931, 2863, 2361, 2342, 1663, 1615, 1588, 1562, 1520, 1494, 1468, 1455, 1424, 1392, 1380, 1353, 1300, 1249, 1231, 1217, 1180, 1160, 1137, 1112, 1079, 1064, 1027, 1000, 966, 931, 891, 847, 823, 805, 748, 724, 697, 669, 613, 550, 538, 527, 507, 483, 388 cm–1.
DOI: 10.14272/xyoxuktyxhokra-uhfffaoysa-n.1
title: C20H19FO4
title: InChI=1S/C20H19FO4/c1-3-8-24-16-11-18(23-2)17-10-14(20(22)25-19(17)12-16)9-13-4-6-15(21)7-5-13/h4-7,10-12H,3,8-9H2,1-2H3

description: This dataset contains experimental data from a sample (3-[(4-fluorophenyl)methyl]-5-methoxy-7-propoxychromen-2-one, InChI=1S/C20H19FO4/c1-3-8-24-16-11-18(23-2)17-10-14(20(22)25-19(17)12-16)9-13-4-6-15(21)7-5-13/h4-7,10-12H,3,8-9H2,1-2H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/xyoxuktyxhokra-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (3-[(4-fluorophenyl)methyl]-5-methoxy-7-propoxychromen-2-one)
title: InChI=1S/C20H19FO4/c1-3-8-24-16-11-18(23-2)17-10-14(20(22)25-19(17)12-16)9-13-4-6-15(21)7-5-13/h4-7,10-12H,3,8-9H2,1-2H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2968, 2918, 2880, 1708, 1615, 1575, 1509, 1462, 1425, 1366, 1309, 1298, 1247, 1222, 1200, 1170, 1154, 1113, 1092, 1065, 1048, 1017, 1001, 989, 952, 932, 915, 901, 885, 853, 834, 819, 761, 725, 691, 646, 564, 544, 524, 482, 469, 452, 421 cm–1.
DOI: 10.14272/ztbmtqxylgokne-fuwurinlsa-n.1
title: C10H17NOS
title: InChI=1S/C10H17NOS/c1-10(2,3)13(12)11-9-7-5-4-6-8-9/h5,7H,4,6,8H2,1-3H3/b11-9-/t13-/m0/s1

description: This dataset contains experimental data from a sample (InChI=1S/C10H17NOS/c1-10(2,3)13(12)11-9-7-5-4-6-8-9/h5,7H,4,6,8H2,1-3H3/b11-9-/t13-/m0/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/ztbmtqxylgokne-fuwurinlsa-n/ir
title: IR (, InChI=1S/C10H17NOS/c1-10(2,3)13(12)11-9-7-5-4-6-8-9/h5,7H,4,6,8H2,1-3H3/b11-9-/t13-/m0/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 2975, 2949, 2925, 2866, 1713, 1684, 1619, 1567, 1475, 1455, 1424, 1388, 1360, 1343, 1323, 1265, 1242, 1217, 1177, 1146, 1132, 1071, 1017, 977, 943, 895, 868, 795, 735, 696, 642, 594, 584, 506, 499, 458, 448, 422, 404, 397, 385 cm–1.
DOI: 10.5281/zenodo.3258859
title: dictionaria/daakaka: Daakaka Dictionary

description: von Prince, Kilu. 2017. Daakaka dictionary. Dictionaria 1. 1-2167 (Available online at https://dictionaria.clld.org/contributions/daakaka)
DOI: 10.14272/aziojxwiacajqz-uhfffaoysa-n.1
title: C18H15FO2
title: InChI=1S/C18H15FO2/c1-11-3-4-12(2)17-16(11)10-14(18(20)21-17)9-13-5-7-15(19)8-6-13/h3-8,10H,9H2,1-2H3

description: This dataset contains experimental data from a sample (3-[(4-fluorophenyl)methyl]-5,8-dimethylchromen-2-one, InChI=1S/C18H15FO2/c1-11-3-4-12(2)17-16(11)10-14(18(20)21-17)9-13-5-7-15(19)8-6-13/h3-8,10H,9H2,1-2H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/aziojxwiacajqz-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (3-[(4-fluorophenyl)methyl]-5,8-dimethylchromen-2-one)
title: InChI=1S/C18H15FO2/c1-11-3-4-12(2)17-16(11)10-14(18(20)21-17)9-13-5-7-15(19)8-6-13/h3-8,10H,9H2,1-2H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3383, 3114, 3072, 3040, 2955, 2925, 2854, 2732, 2361, 2340, 1905, 1875, 1697, 1599, 1504, 1489, 1462, 1432, 1418, 1385, 1377, 1316, 1299, 1273, 1215, 1190, 1159, 1099, 1075, 1034, 1016, 992, 963, 949, 926, 854, 843, 830, 815, 793, 755, 732, 715, 691, 669, 645, 632, 605, 579, 558, 534, 487, 476, 448, 419, 385 cm–1.
DOI: 10.14272/bkujlotxyhigoj-hqvvkeodsa-n.1
title: C36H44ClFN2O7
title: InChI=1S/C36H44ClFN2O7/c1-19(2)21-15-14-20(3)16-30(21)47-34(42)25-18-29(36(44)46-5)40(32(25)23-11-7-9-13-27(23)38)33(41)24-17-28(35(43)45-4)39-31(24)22-10-6-8-12-26(22)37/h6-13,19-21,24-25,28-32,39H,14-18H2,1-5H3/t20-,21+,24-,25+,28-,29+,30-,31-,32+/m1/s1

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

description: dataset for IR
      
      IR (ATR, ṽ) = 2952, 2864, 2364, 1732, 1646, 1490, 1455, 1432, 1385, 1370, 1249, 1197, 1171, 1102, 1052, 1035, 1014, 952, 914, 846, 815, 758, 721, 698, 598, 526, 499, 492, 475, 404, 384 cm–1.
DOI: 10.14272/fgbobposmyausj-uhfffaoysa-n.1
title: C21H22O5
title: InChI=1S/C21H22O5/c1-4-9-25-16-12-19(24-3)17-11-15(21(22)26-20(17)13-16)10-14-7-5-6-8-18(14)23-2/h5-8,11-13H,4,9-10H2,1-3H3

description: This dataset contains experimental data from a sample (5-methoxy-3-[(2-methoxyphenyl)methyl]-7-propoxychromen-2-one, InChI=1S/C21H22O5/c1-4-9-25-16-12-19(24-3)17-11-15(21(22)26-20(17)13-16)10-14-7-5-6-8-18(14)23-2/h5-8,11-13H,4,9-10H2,1-3H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/fgbobposmyausj-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (5-methoxy-3-[(2-methoxyphenyl)methyl]-7-propoxychromen-2-one)
title: InChI=1S/C21H22O5/c1-4-9-25-16-12-19(24-3)17-11-15(21(22)26-20(17)13-16)10-14-7-5-6-8-18(14)23-2/h5-8,11-13H,4,9-10H2,1-3H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2959, 2925, 2874, 2853, 2837, 1714, 1613, 1496, 1456, 1426, 1366, 1300, 1288, 1244, 1201, 1170, 1157, 1112, 1048, 1031, 1001, 987, 950, 935, 912, 898, 836, 819, 788, 768, 747, 727, 690, 664, 646, 551, 524, 475, 458 cm–1.
DOI: 10.14272/iwknnnhecvvjth-yujrmfemsa-n/ir
title: IR ([(3R,4S)-4,5,6-triacetyloxy-2-[(4-methylphenyl)sulfonyloxymethyl]oxan-3-yl] acetate, InChI=1S/C21H26O12S/c1-11-6-8-16(9-7-11)34(26,27)28-10-17-18(29-12(2)22)19(30-13(3)23)20(31-14(4)24)21(33-17)32-15(5)25/h6-9,17-21H,10H2,1-5H3/t17?,18-,19+,20?,21?/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 1747, 1595, 1370, 1337, 1244, 1208, 1190, 1174, 1136, 1096, 1068, 1037, 1009, 980, 959, 939, 892, 830, 812, 795, 741, 694, 673, 579, 551, 527, 509, 473 cm–1.
DOI: 10.14272/olnpzwhacnboev-uhfffaoysa-n.1
title: C46H40O4
title: InChI=1S/C46H40O4/c1-5-39(47)31-9-17-35(18-10-31)43-25-44(36-19-11-32(12-20-36)40(48)6-2)28-45(26-43,37-21-13-33(14-22-37)41(49)7-3)30-46(27-43,29-44)38-23-15-34(16-24-38)42(50)8-4/h1-4,9-24,39-42,47-50H,25-30H2

description: This dataset contains experimental data from a sample (InChI=1S/C46H40O4/c1-5-39(47)31-9-17-35(18-10-31)43-25-44(36-19-11-32(12-20-36)40(48)6-2)28-45(26-43,37-21-13-33(14-22-37)41(49)7-3)30-46(27-43,29-44)38-23-15-34(16-24-38)42(50)8-4/h1-4,9-24,39-42,47-50H,25-30H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/olnpzwhacnboev-uhfffaoysa-n/ir
title: IR (, InChI=1S/C46H40O4/c1-5-39(47)31-9-17-35(18-10-31)43-25-44(36-19-11-32(12-20-36)40(48)6-2)28-45(26-43,37-21-13-33(14-22-37)41(49)7-3)30-46(27-43,29-44)38-23-15-34(16-24-38)42(50)8-4/h1-4,9-24,39-42,47-50H,25-30H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 3282, 2925, 2900, 2853, 1507, 1404, 1357, 1271, 1171, 1052, 1016, 942, 856, 839, 769, 659, 589, 567, 547, 484, 415, 398 cm–1.
DOI: 10.14272/panqywsbgxnqnd-uhfffaoysa-n.1
title: C16H20O4
title: InChI=1S/C16H20O4/c1-4-5-6-7-11-8-13-14(19-3)9-12(18-2)10-15(13)20-16(11)17/h8-10H,4-7H2,1-3H3

description: This dataset contains experimental data from a sample (5,7-dimethoxy-3-pentylchromen-2-one, InChI=1S/C16H20O4/c1-4-5-6-7-11-8-13-14(19-3)9-12(18-2)10-15(13)20-16(11)17/h8-10H,4-7H2,1-3H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/panqywsbgxnqnd-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (5,7-dimethoxy-3-pentylchromen-2-one)
title: InChI=1S/C16H20O4/c1-4-5-6-7-11-8-13-14(19-3)9-12(18-2)10-15(13)20-16(11)17/h8-10H,4-7H2,1-3H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2956, 2925, 2854, 1708, 1632, 1609, 1577, 1497, 1470, 1458, 1425, 1385, 1368, 1340, 1309, 1296, 1251, 1225, 1201, 1191, 1163, 1140, 1111, 1067, 1044, 1018, 996, 922, 843, 800, 775, 735, 714, 662, 643, 611, 560, 528, 490, 446, 421, 384 cm–1.
DOI: 10.14272/rccccpgfwumwdx-uhfffaoysa-n.1
title: 1,3,5-trichloro-2,4,6-triiodobenzene
title: InChI=1S/C6Cl3I3/c7-1-4(10)2(8)6(12)3(9)5(1)11

description: This dataset contains experimental data from a sample (1,3,5-trichloro-2,4,6-triiodobenzene, InChI=1S/C6Cl3I3/c7-1-4(10)2(8)6(12)3(9)5(1)11). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/rccccpgfwumwdx-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (1,3,5-trichloro-2,4,6-triiodobenzene)
title: InChI=1S/C6Cl3I3/c7-1-4(10)2(8)6(12)3(9)5(1)11

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2361, 2339, 1480, 1292, 1254, 884, 822, 691, 669, 608, 572, 405, 385 cm–1.
DOI: 10.14272/rjoywtpjyznrjd-uhfffaoysa-n.3
title: C16H15Br
title: InChI=1S/C16H15Br/c17-16-11-14-6-5-12-1-3-13(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 (InChI=1S/C16H15Br/c17-16-11-14-6-5-12-1-3-13(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/rjoywtpjyznrjd-uhfffaoysa-n/ir.1
title: IR (, InChI=1S/C16H15Br/c17-16-11-14-6-5-12-1-3-13(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) = 3040, 3012, 2951, 2925, 2887, 2849, 2361, 2342, 2187, 1895, 1587, 1541, 1497, 1476, 1448, 1432, 1411, 1390, 1317, 1288, 1269, 1237, 1204, 1181, 1156, 1125, 1086, 1033, 953, 938, 898, 875, 840, 827, 805, 790, 718, 707, 693, 667, 642, 622, 577, 540, 510, 475, 459, 425, 405, 384 cm–1.
DOI: 10.14272/vghhfkaxiwxepl-jeeaegicsa-n.1
title: C35H44N2O7
title: InChI=1S/C35H44N2O7/c1-20(2)24-16-15-21(3)17-29(24)44-34(41)26-19-28(35(42)43-4)37(31(26)23-13-9-6-10-14-23)32(38)25-18-27(33(39)40)36-30(25)22-11-7-5-8-12-22/h5-14,20-21,24-31,36H,15-19H2,1-4H3,(H,39,40)/t21-,24+,25-,26+,27-,28+,29-,30-,31+/m1/s1

description: This dataset contains experimental data from a sample (InChI=1S/C35H44N2O7/c1-20(2)24-16-15-21(3)17-29(24)44-34(41)26-19-28(35(42)43-4)37(31(26)23-13-9-6-10-14-23)32(38)25-18-27(33(39)40)36-30(25)22-11-7-5-8-12-22/h5-14,20-21,24-31,36H,15-19H2,1-4H3,(H,39,40)/t21-,24+,25-,26+,27-,28+,29-,30-,31+/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/vghhfkaxiwxepl-jeeaegicsa-n/ir
title: IR (, InChI=1S/C35H44N2O7/c1-20(2)24-16-15-21(3)17-29(24)44-34(41)26-19-28(35(42)43-4)37(31(26)23-13-9-6-10-14-23)32(38)25-18-27(33(39)40)36-30(25)22-11-7-5-8-12-22/h5-14,20-21,24-31,36H,15-19H2,1-4H3,(H,39,40)/t21-,24+,25-,26+,27-,28+,29-,30-,31+/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 2952, 2364, 1730, 1639, 1453, 1434, 1421, 1387, 1367, 1248, 1196, 1173, 1089, 1081, 1011, 982, 952, 912, 846, 822, 752, 732, 698, 669, 598, 517, 483, 458, 435, 398, 385 cm–1.
DOI: 10.14272/wqinidwrlxnrow-uhfffaoysa-n.1
title: 3,5,8-trimethylchromen-2-one
title: InChI=1S/C12H12O2/c1-7-4-5-8(2)11-10(7)6-9(3)12(13)14-11/h4-6H,1-3H3

description: This dataset contains experimental data from a sample (3,5,8-trimethylchromen-2-one, InChI=1S/C12H12O2/c1-7-4-5-8(2)11-10(7)6-9(3)12(13)14-11/h4-6H,1-3H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/wqinidwrlxnrow-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (3,5,8-trimethylchromen-2-one)
title: InChI=1S/C12H12O2/c1-7-4-5-8(2)11-10(7)6-9(3)12(13)14-11/h4-6H,1-3H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3031, 2976, 2956, 2921, 2859, 2732, 2363, 2340, 1711, 1694, 1643, 1601, 1550, 1533, 1487, 1445, 1432, 1383, 1374, 1358, 1309, 1273, 1261, 1249, 1186, 1146, 1084, 1031, 999, 901, 816, 765, 737, 691, 670, 632, 608, 577, 543, 517, 496, 475, 442, 398, 385 cm–1.
DOI: 10.14272/zwxglbsakpymkr-dxwdkfensa-n.1
title: C30H26Cl2FN3O2
title: InChI=1S/C30H26Cl2FN3O2/c1-2-38-30(37)29-12-17(24-15-34-26-9-3-18(31)13-22(24)26)11-28(36(29)21-7-5-20(33)6-8-21)25-16-35-27-10-4-19(32)14-23(25)27/h3-10,13-17,28-29,34-35H,2,11-12H2,1H3/t17-,28-,29-/m0/s1

description: This dataset contains experimental data from a sample (InChI=1S/C30H26Cl2FN3O2/c1-2-38-30(37)29-12-17(24-15-34-26-9-3-18(31)13-22(24)26)11-28(36(29)21-7-5-20(33)6-8-21)25-16-35-27-10-4-19(32)14-23(25)27/h3-10,13-17,28-29,34-35H,2,11-12H2,1H3/t17-,28-,29-/m0/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/zwxglbsakpymkr-dxwdkfensa-n/ir
title: IR (, InChI=1S/C30H26Cl2FN3O2/c1-2-38-30(37)29-12-17(24-15-34-26-9-3-18(31)13-22(24)26)11-28(36(29)21-7-5-20(33)6-8-21)25-16-35-27-10-4-19(32)14-23(25)27/h3-10,13-17,28-29,34-35H,2,11-12H2,1H3/t17-,28-,29-/m0/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 3432, 2978, 2925, 2851, 2554, 2517, 2497, 2487, 2363, 1701, 1611, 1565, 1504, 1458, 1368, 1353, 1339, 1261, 1210, 1176, 1118, 1095, 1072, 1021, 955, 935, 892, 864, 832, 816, 793, 752, 735, 720, 710, 688, 649, 626, 602, 586, 578, 562, 541, 518, 483, 445, 422, 385 cm–1.
DOI: 10.18430/m3.irrmc.5585
title: X-ray diffraction data for the 6tc2 project
DOI: 10.14272/cqjdgqodckargv-uhfffaoysa-n.3
title: methyl 3-amino-4-(2-amino-4-methoxycarbonylphenyl)benzoate
title: InChI=1S/C16H16N2O4/c1-21-15(19)9-3-5-11(13(17)7-9)12-6-4-10(8-14(12)18)16(20)22-2/h3-8H,17-18H2,1-2H3

description: This dataset contains experimental data from a sample (methyl 3-amino-4-(2-amino-4-methoxycarbonylphenyl)benzoate, InChI=1S/C16H16N2O4/c1-21-15(19)9-3-5-11(13(17)7-9)12-6-4-10(8-14(12)18)16(20)22-2/h3-8H,17-18H2,1-2H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/cqjdgqodckargv-uhfffaoysa-n/ir.2
title: infrared absorption spectroscopy (IR) (methyl 3-amino-4-(2-amino-4-methoxycarbonylphenyl)benzoate)
title: InChI=1S/C16H16N2O4/c1-21-15(19)9-3-5-11(13(17)7-9)12-6-4-10(8-14(12)18)16(20)22-2/h3-8H,17-18H2,1-2H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3449, 3356, 3234, 3065, 3030, 3003, 2951, 2844, 2361, 2342, 1697, 1613, 1564, 1533, 1514, 1494, 1436, 1418, 1353, 1306, 1268, 1235, 1196, 1150, 1112, 999, 986, 918, 892, 857, 830, 795, 762, 749, 731, 711, 686, 669, 591, 574, 555, 524, 489, 455, 422, 407, 398, 385 cm–1.
DOI: 10.14272/dcgryojvmvwieu-uhfffaoysa-n.1
title: C11H10Cl2S
title: InChI=1S/C11H10Cl2S/c12-8-1-9(13)3-10(2-8)14-11-4-7(5-11)6-11/h1-3,7H,4-6H2

description: This dataset contains experimental data from a sample (1-(3,5-dichlorophenyl)sulfanylbicyclo[1.1.1]pentane, InChI=1S/C11H10Cl2S/c12-8-1-9(13)3-10(2-8)14-11-4-7(5-11)6-11/h1-3,7H,4-6H2). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/dcgryojvmvwieu-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (1-(3,5-dichlorophenyl)sulfanylbicyclo[1.1.1]pentane)
title: InChI=1S/C11H10Cl2S/c12-8-1-9(13)3-10(2-8)14-11-4-7(5-11)6-11/h1-3,7H,4-6H2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3071, 2982, 2965, 2908, 2877, 2363, 2340, 1725, 1596, 1562, 1554, 1502, 1449, 1419, 1402, 1380, 1286, 1207, 1142, 1125, 1101, 1072, 992, 926, 894, 854, 796, 670, 564, 544, 429, 404, 387 cm–1.
DOI: 10.14272/fehliyxntwaebq-uhfffaoysa-n.1
title: 4-(4-formylphenyl)benzaldehyde
title: InChI=1S/C14H10O2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-10H

description: This dataset contains experimental data from a sample (4-(4-formylphenyl)benzaldehyde, InChI=1S/C14H10O2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-10H).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/fehliyxntwaebq-uhfffaoysa-n/ir
title: IR (4-(4-formylphenyl)benzaldehyde, InChI=1S/C14H10O2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-10H)

description: dataset for IR
      
      IR (ATR, ṽ) = 2836, 2826, 2740, 1684, 1601, 1560, 1543, 1523, 1507, 1388, 1375, 1312, 1210, 1167, 1105, 1006, 975, 860, 810, 735, 657, 635, 550, 500, 395 cm–1.
DOI: 10.14272/iptnlpiuhzddko-uhfffaoysa-n.1
title: C19H17FO4
title: InChI=1S/C19H17FO4/c1-3-23-15-10-17(22-2)16-9-13(19(21)24-18(16)11-15)8-12-4-6-14(20)7-5-12/h4-7,9-11H,3,8H2,1-2H3

description: This dataset contains experimental data from a sample (7-ethoxy-3-[(4-fluorophenyl)methyl]-5-methoxychromen-2-one, InChI=1S/C19H17FO4/c1-3-23-15-10-17(22-2)16-9-13(19(21)24-18(16)11-15)8-12-4-6-14(20)7-5-12/h4-7,9-11H,3,8H2,1-2H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)