cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/wzyhoevlbozkeh-pezvuumasa-n.1
title: C46H32N14O4
title: InChI=1S/C46H28N10O4.2H2N2/c47-55-53-31-13-9-27(10-14-31)43-37-21-17-33(49-37)41(25-1-5-29(6-2-25)45(57)58)34-18-22-38(50-34)44(28-11-15-32(16-12-28)54-56-48)40-24-20-36(52-40)42(35-19-23-39(43)51-35)26-3-7-30(8-4-26)46(59)60;2*1-2/h1-24,49,52H,(H,57,58)(H,59,60);2*1H2/b41-33-,41-34-,42-35-,42-36-,43-37-,43-39-,44-38-,44-40-;;

description: This dataset contains experimental data from a sample (InChI=1S/C46H28N10O4.2H2N2/c47-55-53-31-13-9-27(10-14-31)43-37-21-17-33(49-37)41(25-1-5-29(6-2-25)45(57)58)34-18-22-38(50-34)44(28-11-15-32(16-12-28)54-56-48)40-24-20-36(52-40)42(35-19-23-39(43)51-35)26-3-7-30(8-4-26)46(59)60;2*1-2/h1-24,49,52H,(H,57,58)(H,59,60);2*1H2/b41-33-,41-34-,42-35-,42-36-,43-37-,43-39-,44-38-,44-40-;;).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/wzyhoevlbozkeh-pezvuumasa-n/ir
title: IR (, InChI=1S/C46H28N10O4.2H2N2/c47-55-53-31-13-9-27(10-14-31)43-37-21-17-33(49-37)41(25-1-5-29(6-2-25)45(57)58)34-18-22-38(50-34)44(28-11-15-32(16-12-28)54-56-48)40-24-20-36(52-40)42(35-19-23-39(43)51-35)26-3-7-30(8-4-26)46(59)60;2*1-2/h1-24,49,52H,(H,57,58)(H,59,60);2*1H2/b41-33-,41-34-,42-35-,42-36-,43-37-,43-39-,44-38-,44-40-;;)

description: dataset for IR
      
      IR (ATR, ṽ) = 3322, 2944, 2662, 2534, 2414, 2363, 2342, 2252, 2121, 2084, 1776, 1718, 1684, 1604, 1558, 1500, 1475, 1421, 1401, 1349, 1316, 1289, 1222, 1180, 1128, 1106, 1035, 1017, 983, 965, 918, 871, 854, 798, 769, 731, 711, 683, 669, 561, 534, 499, 482, 421, 405, 385 cm–1.
DOI: 10.14272/xlliudmgqnprjs-kavgswpwsa-n.1
title: (E)-1-pyridin-4-yl-N-[(E)-pyridin-4-ylmethylideneamino]methanimine
title: InChI=1S/C12H10N4/c1-5-13-6-2-11(1)9-15-16-10-12-3-7-14-8-4-12/h1-10H/b15-9+,16-10+

description: This dataset contains experimental data from a sample ((E)-1-pyridin-4-yl-N-[(E)-pyridin-4-ylmethylideneamino]methanimine, InChI=1S/C12H10N4/c1-5-13-6-2-11(1)9-15-16-10-12-3-7-14-8-4-12/h1-10H/b15-9+,16-10+). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/xlliudmgqnprjs-kavgswpwsa-n/ir
title: infrared absorption spectroscopy (IR) ((E)-1-pyridin-4-yl-N-[(E)-pyridin-4-ylmethylideneamino]methanimine)
title: InChI=1S/C12H10N4/c1-5-13-6-2-11(1)9-15-16-10-12-3-7-14-8-4-12/h1-10H/b15-9+,16-10+

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 1628, 1594, 1550, 1417, 1307, 1234, 1217, 1207, 1081, 986, 975, 958, 874, 812, 676, 662, 637, 506, 445 cm–1.
DOI: 10.25345/c5zm0d
title: MassIVE MSV000084020 - GNPS - SD Zoo - Rhino fecal samples 2019
title: Small molecule analysis of Rhino fecal extracts, standard methanol extraction. Data were acquired using a Thermo Q Exactive and C18 RP-UHPLC. Positive polarity acquisition of LC-MS/MS.
DOI: 10.14272/ckjwvsmcjdjchv-hacpewmusa-n.1
title: C26H34FNO5
title: InChI=1S/C26H34FNO5/c1-6-23(29)28-21(26(31)32-5)14-19(24(28)18-9-7-8-10-20(18)27)25(30)33-22-13-16(4)11-12-17(22)15(2)3/h6-10,15-17,19,21-22,24H,1,11-14H2,2-5H3/t16-,17+,19+,21+,22-,24+/m1/s1

description: This dataset contains experimental data from a sample (InChI=1S/C26H34FNO5/c1-6-23(29)28-21(26(31)32-5)14-19(24(28)18-9-7-8-10-20(18)27)25(30)33-22-13-16(4)11-12-17(22)15(2)3/h6-10,15-17,19,21-22,24H,1,11-14H2,2-5H3/t16-,17+,19+,21+,22-,24+/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/ckjwvsmcjdjchv-hacpewmusa-n/ir
title: IR (, InChI=1S/C26H34FNO5/c1-6-23(29)28-21(26(31)32-5)14-19(24(28)18-9-7-8-10-20(18)27)25(30)33-22-13-16(4)11-12-17(22)15(2)3/h6-10,15-17,19,21-22,24H,1,11-14H2,2-5H3/t16-,17+,19+,21+,22-,24+/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 2952, 2927, 2870, 2360, 1737, 1727, 1656, 1615, 1490, 1456, 1425, 1368, 1288, 1251, 1235, 1198, 1173, 1103, 1037, 1016, 977, 950, 915, 895, 819, 796, 759, 725, 606, 547, 513, 421, 385 cm–1.
DOI: 10.14272/dcqwfvkwdnhufl-xokmmbsasa-n/ir
title: IR (, InChI=1S/C23H32FNO4/c1-13(2)15-10-9-14(3)11-20(15)29-22(26)17-12-19(23(27)28-4)25-21(17)16-7-5-6-8-18(16)24/h5-8,13-15,17,19-21,25H,9-12H2,1-4H3/t14-,15+,17+,19+,20-,21+/m1/s1)

description: dataset for IR
DOI: 10.14272/gvubejanehzypa-uhfffaoysa-l.1
title: 1-octyl-4-(1-octylpyridin-1-ium-4-yl)pyridin-1-ium;dibromide
title: InChI=1S/C26H42N2.2BrH/c1-3-5-7-9-11-13-19-27-21-15-25(16-22-27)26-17-23-28(24-18-26)20-14-12-10-8-6-4-2;;/h15-18,21-24H,3-14,19-20H2,1-2H3;2*1H/q+2;;/p-2

description: This dataset contains experimental data from a sample (1-octyl-4-(1-octylpyridin-1-ium-4-yl)pyridin-1-ium;dibromide, InChI=1S/C26H42N2.2BrH/c1-3-5-7-9-11-13-19-27-21-15-25(16-22-27)26-17-23-28(24-18-26)20-14-12-10-8-6-4-2;;/h15-18,21-24H,3-14,19-20H2,1-2H3;2*1H/q+2;;/p-2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/gvubejanehzypa-uhfffaoysa-l/ir
title: IR (1-octyl-4-(1-octylpyridin-1-ium-4-yl)pyridin-1-ium;dibromide, InChI=1S/C26H42N2.2BrH/c1-3-5-7-9-11-13-19-27-21-15-25(16-22-27)26-17-23-28(24-18-26)20-14-12-10-8-6-4-2;;/h15-18,21-24H,3-14,19-20H2,1-2H3;2*1H/q+2;;/p-2)

description: dataset for IR
      
      IR (ATR, ṽ) = 3023, 2995, 2917, 2868, 2851, 1635, 1557, 1509, 1466, 1449, 1380, 1364, 1255, 1235, 1174, 832, 810, 759, 720, 601, 513, 476, 439, 398 cm–1.
DOI: 10.14272/hcbwjugtqunmow-byyhnaklsa-n.1
title: C25H28N4O
title: InChI=1S/C25H28N4O/c1-25(2,3)24(30)26-22-14-16-23(17-15-22)27-28-29(18-20-10-6-4-7-11-20)19-21-12-8-5-9-13-21/h4-17H,18-19H2,1-3H3,(H,26,30)/b28-27+

description: This dataset contains experimental data from a sample (InChI=1S/C25H28N4O/c1-25(2,3)24(30)26-22-14-16-23(17-15-22)27-28-29(18-20-10-6-4-7-11-20)19-21-12-8-5-9-13-21/h4-17H,18-19H2,1-3H3,(H,26,30)/b28-27+).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/jkysihlexbxwgs-uhfffaoysa-n.1
title: C20H16F3N3O
title: InChI=1S/C20H16F3N3O/c1-2-3-7-13-26-17-15(11-8-12-16(17)20(21,22)23)18(25-26)24-19(27)14-9-5-4-6-10-14/h1,4-6,8-12H,3,7,13H2,(H,24,25,27)

description: This dataset contains experimental data from a sample (InChI=1S/C20H16F3N3O/c1-2-3-7-13-26-17-15(11-8-12-16(17)20(21,22)23)18(25-26)24-19(27)14-9-5-4-6-10-14/h1,4-6,8-12H,3,7,13H2,(H,24,25,27)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/jwrpeihcoovrcg-uhfffaoysa-n.1
title: C34H31N
title: InChI=1S/C34H31N/c1-24-10-12-26(3)33(22-24)28-14-18-31(19-15-28)35(30-8-6-5-7-9-30)32-20-16-29(17-21-32)34-23-25(2)11-13-27(34)4/h5-23H,1-4H3

description: This dataset contains experimental data from a sample (InChI=1S/C34H31N/c1-24-10-12-26(3)33(22-24)28-14-18-31(19-15-28)35(30-8-6-5-7-9-30)32-20-16-29(17-21-32)34-23-25(2)11-13-27(34)4/h5-23H,1-4H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/kmkcboqrrwzrii-uhfffaoysa-n.1
title: diethyl 2,5-diaminobenzene-1,4-dicarboxylate
title: InChI=1S/C12H16N2O4/c1-3-17-11(15)7-5-10(14)8(6-9(7)13)12(16)18-4-2/h5-6H,3-4,13-14H2,1-2H3

description: This dataset contains experimental data from a sample (diethyl 2,5-diaminobenzene-1,4-dicarboxylate, InChI=1S/C12H16N2O4/c1-3-17-11(15)7-5-10(14)8(6-9(7)13)12(16)18-4-2/h5-6H,3-4,13-14H2,1-2H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/kmkcboqrrwzrii-uhfffaoysa-n/ir
title: IR (diethyl 2,5-diaminobenzene-1,4-dicarboxylate, InChI=1S/C12H16N2O4/c1-3-17-11(15)7-5-10(14)8(6-9(7)13)12(16)18-4-2/h5-6H,3-4,13-14H2,1-2H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3462, 3363, 2997, 2979, 2936, 2905, 2361, 2342, 1677, 1575, 1499, 1475, 1445, 1424, 1392, 1368, 1326, 1281, 1207, 1120, 1099, 1026, 899, 877, 802, 790, 599, 455, 398 cm–1.
DOI: 10.14272/qsndykdrtvtycf-cbcpzmlfsa-n.1
title: C24H40N4O2
title: InChI=1S/2C12H20N2O/c2*1-3-8(2)11-12(15)14-10-7-5-4-6-9(10)13-11/h2*8-10H,3-7H2,1-2H3,(H,14,15)/t8-,9+,10+;8-,9-,10-/m00/s1

description: This dataset contains experimental data from a sample (InChI=1S/2C12H20N2O/c2*1-3-8(2)11-12(15)14-10-7-5-4-6-9(10)13-11/h2*8-10H,3-7H2,1-2H3,(H,14,15)/t8-,9+,10+;8-,9-,10-/m00/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/qsndykdrtvtycf-cbcpzmlfsa-n/ir
title: IR (, InChI=1S/2C12H20N2O/c2*1-3-8(2)11-12(15)14-10-7-5-4-6-9(10)13-11/h2*8-10H,3-7H2,1-2H3,(H,14,15)/t8-,9+,10+;8-,9-,10-/m00/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 3183, 3088, 3072, 3065, 2959, 2934, 2856, 1677, 1623, 1455, 1405, 1378, 1366, 1350, 1334, 1315, 1293, 1258, 1237, 1214, 1183, 1125, 1092, 1072, 1047, 997, 962, 874, 847, 815, 803, 790, 773, 747, 676, 616, 569, 524, 470, 439, 425, 407, 397, 391 cm–1.
DOI: 10.14272/ycgrqrppydkufp-uhfffaoysa-n.1
title: C21H30F3N3O
title: InChI=1S/C21H30F3N3O/c1-4-5-6-7-8-9-13-27-19-16(11-10-12-17(19)21(22,23)24)20(26-27)25-18(28)14-15(2)3/h10-12,15H,4-9,13-14H2,1-3H3,(H,25,26,28)

description: This dataset contains experimental data from a sample (InChI=1S/C21H30F3N3O/c1-4-5-6-7-8-9-13-27-19-16(11-10-12-17(19)21(22,23)24)20(26-27)25-18(28)14-15(2)3/h10-12,15H,4-9,13-14H2,1-3H3,(H,25,26,28)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/ycgrqrppydkufp-uhfffaoysa-n/ir
title: IR (, InChI=1S/C21H30F3N3O/c1-4-5-6-7-8-9-13-27-19-16(11-10-12-17(19)21(22,23)24)20(26-27)25-18(28)14-15(2)3/h10-12,15H,4-9,13-14H2,1-3H3,(H,25,26,28))

description: dataset for IR
      
      IR (ATR, ṽ) = 3255, 3204, 3173, 3101, 3057, 2959, 2921, 2873, 2851, 2361, 2342, 1663, 1616, 1588, 1561, 1521, 1465, 1426, 1380, 1364, 1300, 1235, 1210, 1177, 1156, 1112, 1088, 1065, 983, 946, 925, 907, 881, 836, 800, 745, 724, 690, 660, 615, 561, 534, 507, 421, 405, 375 cm–1.
DOI: 10.14272/ympxknopkqnnlm-uhfffaoysa-n.1
title: C12H14OS2
title: InChI=1S/C12H14OS2/c13-6-11-3-1-10(2-4-11)5-12-7-14-9-15-8-12/h1-4,6,12H,5,7-9H2

description: This dataset contains experimental data from a sample (InChI=1S/C12H14OS2/c13-6-11-3-1-10(2-4-11)5-12-7-14-9-15-8-12/h1-4,6,12H,5,7-9H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/ympxknopkqnnlm-uhfffaoysa-n/ir
title: IR (, InChI=1S/C12H14OS2/c13-6-11-3-1-10(2-4-11)5-12-7-14-9-15-8-12/h1-4,6,12H,5,7-9H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 2938, 2921, 2908, 2887, 2864, 1686, 1602, 1574, 1443, 1425, 1409, 1397, 1368, 1343, 1306, 1290, 1278, 1247, 1213, 1201, 1179, 1167, 1116, 1102, 1058, 1016, 946, 922, 867, 851, 832, 822, 813, 803, 785, 755, 742, 734, 713, 694, 667, 642, 619, 567, 538, 517, 453, 441, 418, 407 cm–1.
DOI: 10.14272/yptqhknkmssprr-xrfxirklsa-n.1
title: C24H35NO5
title: InChI=1S/C24H35NO5/c1-14(2)18-11-6-15(3)12-21(18)30-23(26)19-13-20(24(27)29-5)25-22(19)16-7-9-17(28-4)10-8-16/h7-10,14-15,18-22,25H,6,11-13H2,1-5H3/t15-,18+,19+,20+,21-,22+/m1/s1

description: This dataset contains experimental data from a sample (InChI=1S/C24H35NO5/c1-14(2)18-11-6-15(3)12-21(18)30-23(26)19-13-20(24(27)29-5)25-22(19)16-7-9-17(28-4)10-8-16/h7-10,14-15,18-22,25H,6,11-13H2,1-5H3/t15-,18+,19+,20+,21-,22+/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/yptqhknkmssprr-xrfxirklsa-n/ir
title: IR (, InChI=1S/C24H35NO5/c1-14(2)18-11-6-15(3)12-21(18)30-23(26)19-13-20(24(27)29-5)25-22(19)16-7-9-17(28-4)10-8-16/h7-10,14-15,18-22,25H,6,11-13H2,1-5H3/t15-,18+,19+,20+,21-,22+/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 2951, 2935, 2860, 2364, 1734, 1703, 1615, 1517, 1436, 1392, 1373, 1317, 1289, 1252, 1241, 1200, 1170, 1112, 1038, 958, 916, 888, 829, 820, 786, 766, 561, 513, 387 cm–1.
DOI: 10.14272/zirgyelkrudrga-ncgdqyahsa-n.1
title: C39H46ClFN2O8
title: InChI=1S/C39H46ClFN2O8/c1-7-33(44)42-30(38(47)49-5)19-26(34(42)24-12-8-10-14-28(24)40)36(45)43-31(39(48)50-6)20-27(35(43)25-13-9-11-15-29(25)41)37(46)51-32-18-22(4)16-17-23(32)21(2)3/h7-15,21-23,26-27,30-32,34-35H,1,16-20H2,2-6H3/t22-,23+,26-,27+,30-,31+,32-,34-,35+/m1/s1

description: This dataset contains experimental data from a sample (InChI=1S/C39H46ClFN2O8/c1-7-33(44)42-30(38(47)49-5)19-26(34(42)24-12-8-10-14-28(24)40)36(45)43-31(39(48)50-6)20-27(35(43)25-13-9-11-15-29(25)41)37(46)51-32-18-22(4)16-17-23(32)21(2)3/h7-15,21-23,26-27,30-32,34-35H,1,16-20H2,2-6H3/t22-,23+,26-,27+,30-,31+,32-,34-,35+/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/zirgyelkrudrga-ncgdqyahsa-n/ir
title: IR (, InChI=1S/C39H46ClFN2O8/c1-7-33(44)42-30(38(47)49-5)19-26(34(42)24-12-8-10-14-28(24)40)36(45)43-31(39(48)50-6)20-27(35(43)25-13-9-11-15-29(25)41)37(46)51-32-18-22(4)16-17-23(32)21(2)3/h7-15,21-23,26-27,30-32,34-35H,1,16-20H2,2-6H3/t22-,23+,26-,27+,30-,31+,32-,34-,35+/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 2952, 2868, 2364, 1735, 1657, 1616, 1587, 1490, 1456, 1434, 1414, 1364, 1285, 1252, 1198, 1173, 1101, 1077, 1035, 977, 952, 914, 822, 795, 758, 721, 596, 470, 419, 407 cm–1.
DOI: 10.14272/hcbwjugtqunmow-byyhnaklsa-n/ir
title: IR (, InChI=1S/C25H28N4O/c1-25(2,3)24(30)26-22-14-16-23(17-15-22)27-28-29(18-20-10-6-4-7-11-20)19-21-12-8-5-9-13-21/h4-17H,18-19H2,1-3H3,(H,26,30)/b28-27+)

description: dataset for IR
      
      IR (ATR, ṽ) = 3318, 3295, 3064, 3033, 2965, 2908, 2868, 1652, 1592, 1521, 1504, 1445, 1431, 1401, 1373, 1343, 1309, 1289, 1242, 1221, 1160, 1142, 1108, 1075, 1026, 982, 922, 909, 891, 844, 836, 798, 747, 732, 694, 653, 640, 608, 591, 575, 561, 535, 499, 475, 459, 435, 419, 405, 385 cm–1.
DOI: 10.14272/igobecvwmdkflf-uhfffaoysa-n.1
title: C21H22F3N3O
title: InChI=1S/C21H22F3N3O/c1-2-3-7-13-27-20(25-18(28)14-15-9-5-4-6-10-15)16-11-8-12-17(19(16)26-27)21(22,23)24/h4-6,8-12H,2-3,7,13-14H2,1H3,(H,25,28)

description: This dataset contains experimental data from a sample (InChI=1S/C21H22F3N3O/c1-2-3-7-13-27-20(25-18(28)14-15-9-5-4-6-10-15)16-11-8-12-17(19(16)26-27)21(22,23)24/h4-6,8-12H,2-3,7,13-14H2,1H3,(H,25,28)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/igobecvwmdkflf-uhfffaoysa-n/ir
title: IR (, InChI=1S/C21H22F3N3O/c1-2-3-7-13-27-20(25-18(28)14-15-9-5-4-6-10-15)16-11-8-12-17(19(16)26-27)21(22,23)24/h4-6,8-12H,2-3,7,13-14H2,1H3,(H,25,28))

description: dataset for IR
      
      IR (ATR, ṽ) = 3252, 3064, 3029, 2953, 2929, 2870, 2361, 2342, 1663, 1633, 1570, 1540, 1527, 1494, 1479, 1468, 1456, 1438, 1402, 1378, 1363, 1333, 1312, 1300, 1255, 1227, 1191, 1181, 1152, 1115, 1045, 1031, 996, 966, 912, 901, 875, 856, 803, 752, 721, 713, 696, 669, 613, 586, 567, 527, 479, 405, 387 cm–1.
DOI: 10.14272/jkysihlexbxwgs-uhfffaoysa-n/ir
title: IR (, InChI=1S/C20H16F3N3O/c1-2-3-7-13-26-17-15(11-8-12-16(17)20(21,22)23)18(25-26)24-19(27)14-9-5-4-6-10-14/h1,4-6,8-12H,3,7,13H2,(H,24,25,27))

description: dataset for IR
      
      IR (ATR, ṽ) = 3274, 3231, 2361, 2342, 1647, 1615, 1602, 1584, 1544, 1507, 1465, 1448, 1415, 1375, 1302, 1282, 1256, 1248, 1217, 1193, 1184, 1166, 1123, 1106, 1062, 1026, 1001, 967, 925, 908, 884, 800, 742, 717, 687, 669, 656, 628, 616, 589, 561, 533, 517, 507, 484, 418, 398, 384 cm–1.
DOI: 10.14272/jwrpeihcoovrcg-uhfffaoysa-n/ir
title: IR (, InChI=1S/C34H31N/c1-24-10-12-26(3)33(22-24)28-14-18-31(19-15-28)35(30-8-6-5-7-9-30)32-20-16-29(17-21-32)34-23-25(2)11-13-27(34)4/h5-23H,1-4H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3029, 2952, 2921, 2853, 2363, 1592, 1510, 1490, 1458, 1446, 1316, 1275, 1176, 1108, 1079, 1040, 996, 966, 891, 840, 806, 749, 717, 711, 691, 677, 643, 622, 586, 544, 509, 484, 460, 428 cm–1.
DOI: 10.14272/ocikjmoyjjxyoy-uhfffaoysa-n.1
title: 6-methoxy-3-[(2-methoxyphenyl)methyl]-5,7,8-trimethylchromen-2-one
title: InChI=1S/C21H22O4/c1-12-13(2)20-17(14(3)19(12)24-5)11-16(21(22)25-20)10-15-8-6-7-9-18(15)23-4/h6-9,11H,10H2,1-5H3

description: This dataset contains experimental data from a sample (6-methoxy-3-[(2-methoxyphenyl)methyl]-5,7,8-trimethylchromen-2-one, InChI=1S/C21H22O4/c1-12-13(2)20-17(14(3)19(12)24-5)11-16(21(22)25-20)10-15-8-6-7-9-18(15)23-4/h6-9,11H,10H2,1-5H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/ocikjmoyjjxyoy-uhfffaoysa-n/ir
title: IR (6-methoxy-3-[(2-methoxyphenyl)methyl]-5,7,8-trimethylchromen-2-one, InChI=1S/C21H22O4/c1-12-13(2)20-17(14(3)19(12)24-5)11-16(21(22)25-20)10-15-8-6-7-9-18(15)23-4/h6-9,11H,10H2,1-5H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 2924, 2832, 1706, 1595, 1562, 1493, 1465, 1458, 1439, 1419, 1371, 1336, 1309, 1283, 1264, 1244, 1198, 1190, 1177, 1139, 1112, 1094, 1067, 1050, 1030, 989, 945, 938, 905, 891, 840, 788, 762, 745, 688, 680, 622, 581, 555, 540, 521, 470, 458, 405, 385 cm–1.
DOI: 10.14272/oydiprozefuhnq-wukndpdisa-n.1
title: C13H17FN4
title: InChI=1S/C13H17FN4/c1-9(2)18(10(3)4)17-16-13-7-5-6-12(14)11(13)8-15/h5-7,9-10H,1-4H3/b17-16+

description: This dataset contains experimental data from a sample (InChI=1S/C13H17FN4/c1-9(2)18(10(3)4)17-16-13-7-5-6-12(14)11(13)8-15/h5-7,9-10H,1-4H3/b17-16+).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/oydiprozefuhnq-wukndpdisa-n/ir
title: IR (, InChI=1S/C13H17FN4/c1-9(2)18(10(3)4)17-16-13-7-5-6-12(14)11(13)8-15/h5-7,9-10H,1-4H3/b17-16+)

description: dataset for IR
      
      IR (ATR, ṽ) = 2976, 2935, 2876, 2360, 2342, 2228, 1606, 1570, 1462, 1395, 1380, 1364, 1299, 1245, 1228, 1204, 1184, 1154, 1128, 1098, 1061, 1048, 1006, 990, 929, 904, 874, 823, 792, 782, 728, 697, 669, 637, 623, 595, 564, 555, 531, 465, 443, 433, 419, 405 cm–1.
DOI: 10.14272/pftpbcibivrxgt-lurjtmiesa-n.1
title: C8H14N2O
title: InChI=1S/C8H14N2O/c1-3-6(2)7-8(11)10-5-4-9-7/h6H,3-5H2,1-2H3,(H,10,11)/t6-/m0/s1

description: This dataset contains experimental data from a sample (InChI=1S/C8H14N2O/c1-3-6(2)7-8(11)10-5-4-9-7/h6H,3-5H2,1-2H3,(H,10,11)/t6-/m0/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/pftpbcibivrxgt-lurjtmiesa-n/ir
title: IR (, InChI=1S/C8H14N2O/c1-3-6(2)7-8(11)10-5-4-9-7/h6H,3-5H2,1-2H3,(H,10,11)/t6-/m0/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 3237, 2963, 2932, 2873, 1677, 1628, 1472, 1456, 1377, 1358, 1343, 1295, 1245, 1218, 1203, 1173, 1153, 1133, 1106, 1079, 1051, 1026, 994, 963, 938, 895, 817, 798, 761, 717, 574, 527, 500, 429, 421 cm–1.
DOI: 10.14272/qaigomvcancbcb-qpjjxvbhsa-n.1
title: C21H20O4
title: InChI=1S/C21H20O4/c1-4-7-14-10-19(24-3)17-13-16(21(22)25-20(17)11-14)12-15-8-5-6-9-18(15)23-2/h4-11,13H,12H2,1-3H3/b7-4+

description: This dataset contains experimental data from a sample (InChI=1S/C21H20O4/c1-4-7-14-10-19(24-3)17-13-16(21(22)25-20(17)11-14)12-15-8-5-6-9-18(15)23-2/h4-11,13H,12H2,1-3H3/b7-4+).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/qaigomvcancbcb-qpjjxvbhsa-n/ir
title: IR (, InChI=1S/C21H20O4/c1-4-7-14-10-19(24-3)17-13-16(21(22)25-20(17)11-14)12-15-8-5-6-9-18(15)23-2/h4-11,13H,12H2,1-3H3/b7-4+)

description: dataset for IR
      
      IR (ATR, ṽ) = 3082, 3013, 2978, 2941, 2847, 1717, 1655, 1602, 1494, 1472, 1460, 1439, 1388, 1353, 1319, 1300, 1289, 1242, 1224, 1196, 1190, 1160, 1132, 1105, 1075, 1062, 1048, 1027, 962, 936, 909, 881, 856, 843, 827, 812, 789, 776, 755, 739, 731, 721, 697, 677, 656, 625, 596, 569, 557, 533, 521, 490, 475, 442, 415, 385 cm–1.
DOI: 10.14272/qurchrdluzmpij-uhfffaoysa-n.1
title: C19H20F3N3O
title: InChI=1S/C19H20F3N3O/c20-19(21,22)14-3-1-2-13-15(14)24-25-16(13)23-17(26)18-7-10-4-11(8-18)6-12(5-10)9-18/h1-3,10-12H,4-9H2,(H2,23,24,25,26)

description: This dataset contains experimental data from a sample (InChI=1S/C19H20F3N3O/c20-19(21,22)14-3-1-2-13-15(14)24-25-16(13)23-17(26)18-7-10-4-11(8-18)6-12(5-10)9-18/h1-3,10-12H,4-9H2,(H2,23,24,25,26)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/qurchrdluzmpij-uhfffaoysa-n/ir
title: IR (, InChI=1S/C19H20F3N3O/c20-19(21,22)14-3-1-2-13-15(14)24-25-16(13)23-17(26)18-7-10-4-11(8-18)6-12(5-10)9-18/h1-3,10-12H,4-9H2,(H2,23,24,25,26))

description: dataset for IR
      
      IR (ATR, ṽ) = 3490, 3306, 3250, 2905, 2851, 2360, 2342, 1656, 1619, 1605, 1530, 1519, 1509, 1483, 1452, 1438, 1421, 1347, 1316, 1289, 1275, 1249, 1215, 1187, 1159, 1106, 1089, 1075, 1048, 977, 938, 926, 875, 844, 800, 779, 747, 728, 683, 669, 647, 629, 602, 569, 547, 523, 499, 484, 445, 405, 397, 384, 377 cm–1.
DOI: 10.14272/qvosmucbdnorgb-aufakcassa-n.1
title: C22H30O9S
title: InChI=1S/C22H30O9S/c1-6-32-22-21(30-15(4)25)20(29-14(3)24)19(28-13(2)23)18(31-22)12-27-11-16-7-9-17(26-5)10-8-16/h7-10,18-22H,6,11-12H2,1-5H3/t18?,19-,20+,21?,22+/m1/s1

description: This dataset contains experimental data from a sample (InChI=1S/C22H30O9S/c1-6-32-22-21(30-15(4)25)20(29-14(3)24)19(28-13(2)23)18(31-22)12-27-11-16-7-9-17(26-5)10-8-16/h7-10,18-22H,6,11-12H2,1-5H3/t18?,19-,20+,21?,22+/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/qvosmucbdnorgb-aufakcassa-n/ir
title: IR (, InChI=1S/C22H30O9S/c1-6-32-22-21(30-15(4)25)20(29-14(3)24)19(28-13(2)23)18(31-22)12-27-11-16-7-9-17(26-5)10-8-16/h7-10,18-22H,6,11-12H2,1-5H3/t18?,19-,20+,21?,22+/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 2935, 2928, 2868, 1744, 1613, 1514, 1456, 1426, 1366, 1300, 1244, 1213, 1174, 1129, 1085, 1067, 1028, 982, 914, 897, 812, 761, 681, 620, 599, 554, 535, 527, 514, 489, 443, 375 cm–1.
DOI: 10.14272/uiscooxdofrxsd-uhfffaoysa-n.1
title: C36H40N2O5S
title: InChI=1S/C36H40N2O5S/c1-3-38(4-2)29-14-19-32-28(22-34(44)43-33(32)23-29)24-42-36(40)37-20-21-41-31-17-12-27(13-18-31)35(25-8-6-5-7-9-25)26-10-15-30(39)16-11-26/h10-19,22-23,39H,3-9,20-21,24H2,1-2H3,(H,37,40)

description: This dataset contains experimental data from a sample (InChI=1S/C36H40N2O5S/c1-3-38(4-2)29-14-19-32-28(22-34(44)43-33(32)23-29)24-42-36(40)37-20-21-41-31-17-12-27(13-18-31)35(25-8-6-5-7-9-25)26-10-15-30(39)16-11-26/h10-19,22-23,39H,3-9,20-21,24H2,1-2H3,(H,37,40)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/uiscooxdofrxsd-uhfffaoysa-n/ir
title: IR (, InChI=1S/C36H40N2O5S/c1-3-38(4-2)29-14-19-32-28(22-34(44)43-33(32)23-29)24-42-36(40)37-20-21-41-31-17-12-27(13-18-31)35(25-8-6-5-7-9-25)26-10-15-30(39)16-11-26/h10-19,22-23,39H,3-9,20-21,24H2,1-2H3,(H,37,40))

description: dataset for IR
      
      IR (ATR, ṽ) = 3333, 2958, 2915, 2876, 2850, 1700, 1626, 1608, 1579, 1533, 1507, 1468, 1456, 1434, 1397, 1375, 1351, 1293, 1282, 1249, 1222, 1197, 1177, 1143, 1116, 1099, 1069, 1055, 1023, 1004, 969, 941, 901, 887, 823, 789, 718, 684, 654, 642, 625, 595, 578, 544, 517, 407, 384 cm–1.
DOI: 10.14272/uwcpyxwyhkhheq-uhfffaoysa-n.1
title: C13H14F3N3O
title: InChI=1S/C13H14F3N3O/c1-12(2,3)11(20)17-10-7-5-4-6-8(13(14,15)16)9(7)18-19-10/h4-6H,1-3H3,(H2,17,18,19,20)

description: This dataset contains experimental data from a sample (InChI=1S/C13H14F3N3O/c1-12(2,3)11(20)17-10-7-5-4-6-8(13(14,15)16)9(7)18-19-10/h4-6H,1-3H3,(H2,17,18,19,20)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/uwcpyxwyhkhheq-uhfffaoysa-n/ir
title: IR (, InChI=1S/C13H14F3N3O/c1-12(2,3)11(20)17-10-7-5-4-6-8(13(14,15)16)9(7)18-19-10/h4-6H,1-3H3,(H2,17,18,19,20))

description: dataset for IR
      
      IR (ATR, ṽ) = 3265, 2968, 2936, 2915, 2878, 2360, 2342, 1666, 1625, 1611, 1536, 1509, 1472, 1460, 1422, 1400, 1371, 1351, 1320, 1286, 1222, 1180, 1162, 1116, 1091, 1051, 1026, 972, 929, 867, 830, 800, 769, 756, 738, 728, 694, 654, 642, 599, 577, 541, 516, 499, 459, 419, 397, 384 cm–1.
DOI: 10.14272/xpvnjwfreshulb-uhfffaoysa-n.1
title: C21H22F3N3O
title: 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: This dataset contains experimental data from a sample (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)).
      The datasets from the following experiments are available:
      
      IR