cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/imolflxwiuqufc-uhfffaoysa-n.1
title: 4-[2-(5-carboxy-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophene-2-carboxylic acid
title: InChI=1S/C17H10F6O4S2/c1-5-7(3-9(28-5)13(24)25)11-12(8-4-10(14(26)27)29-6(8)2)16(20,21)17(22,23)15(11,18)19/h3-4H,1-2H3,(H,24,25)(H,26,27)

description: This dataset contains experimental data from a sample (4-[2-(5-carboxy-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophene-2-carboxylic acid, InChI=1S/C17H10F6O4S2/c1-5-7(3-9(28-5)13(24)25)11-12(8-4-10(14(26)27)29-6(8)2)16(20,21)17(22,23)15(11,18)19/h3-4H,1-2H3,(H,24,25)(H,26,27)). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/imolflxwiuqufc-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (4-[2-(5-carboxy-2-methylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophene-2-carboxylic acid)
title: InChI=1S/C17H10F6O4S2/c1-5-7(3-9(28-5)13(24)25)11-12(8-4-10(14(26)27)29-6(8)2)16(20,21)17(22,23)15(11,18)19/h3-4H,1-2H3,(H,24,25)(H,26,27)

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2987, 2849, 2640, 1674, 1547, 1469, 1443, 1412, 1392, 1337, 1265, 1191, 1156, 1136, 1118, 1065, 1037, 983, 899, 878, 839, 766, 754, 742, 662, 567, 540, 511, 476 cm–1.
DOI: 10.14272/njlfbdwfrvyecv-uhfffaoysa-n.1
title: C23H16F3NO
title: InChI=1S/C23H16F3NO/c24-23(25,26)18-12-10-16(11-13-18)14-27-15-20(19-8-4-5-9-21(19)27)22(28)17-6-2-1-3-7-17/h1-13,15H,14H2

description: This dataset contains experimental data from a sample (InChI=1S/C23H16F3NO/c24-23(25,26)18-12-10-16(11-13-18)14-27-15-20(19-8-4-5-9-21(19)27)22(28)17-6-2-1-3-7-17/h1-13,15H,14H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/njlfbdwfrvyecv-uhfffaoysa-n/ir
title: IR (, InChI=1S/C23H16F3NO/c24-23(25,26)18-12-10-16(11-13-18)14-27-15-20(19-8-4-5-9-21(19)27)22(28)17-6-2-1-3-7-17/h1-13,15H,14H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 3104, 3057, 3023, 2925, 2860, 1608, 1596, 1572, 1517, 1483, 1465, 1443, 1422, 1384, 1323, 1266, 1244, 1197, 1171, 1150, 1111, 1065, 1044, 1017, 973, 950, 938, 926, 873, 841, 827, 781, 749, 717, 698, 674, 657, 615, 601, 591, 579, 490, 438, 429, 402 cm–1.
DOI: 10.14272/qtigtyyhljrzjq-qljpjbmisa-n.1
title: C16H15BrO7
title: InChI=1S/C16H15BrO7/c1-7-5-9-12(14(20)13(7)17)8(18)6-16(24-9,15(21)22-2)10-3-4-11(19)23-10/h5,10,20H,3-4,6H2,1-2H3/t10-,16-/m1/s1

description: This dataset contains experimental data from a sample (InChI=1S/C16H15BrO7/c1-7-5-9-12(14(20)13(7)17)8(18)6-16(24-9,15(21)22-2)10-3-4-11(19)23-10/h5,10,20H,3-4,6H2,1-2H3/t10-,16-/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/qtigtyyhljrzjq-qljpjbmisa-n/ir
title: IR (, InChI=1S/C16H15BrO7/c1-7-5-9-12(14(20)13(7)17)8(18)6-16(24-9,15(21)22-2)10-3-4-11(19)23-10/h5,10,20H,3-4,6H2,1-2H3/t10-,16-/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 2958, 2921, 1778, 1749, 1740, 1707, 1643, 1625, 1555, 1449, 1431, 1404, 1395, 1364, 1333, 1309, 1279, 1238, 1207, 1153, 1123, 1095, 1058, 1033, 999, 946, 935, 911, 892, 860, 836, 816, 782, 749, 700, 679, 659, 637, 594, 582, 568, 534, 517, 507, 492, 411 cm–1.
DOI: 10.14272/sykvzypzqczdsu-uhfffaoysa-n.1
title: C18H18N2O2
title: InChI=1S/C18H18N2O2/c1-2-22-18(21)14-9-7-13(8-10-14)17(15-5-3-11-19-15)16-6-4-12-20-16/h3-12,17,19-20H,2H2,1H3

description: This dataset contains experimental data from a sample (ethyl 4-[bis(1H-pyrrol-2-yl)methyl]benzoate, InChI=1S/C18H18N2O2/c1-2-22-18(21)14-9-7-13(8-10-14)17(15-5-3-11-19-15)16-6-4-12-20-16/h3-12,17,19-20H,2H2,1H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/waiqwyalyscyla-lvvyubkhsa-n.1
title: (3~{S},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-17-[(~{E},2~{R},5~{S})-5-ethyl-6-methylhept-3-en-2-yl]-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthrene
title: InChI=1S/C30H50O/c1-8-22(20(2)3)10-9-21(4)26-13-14-27-25-12-11-23-19-24(31-7)15-17-29(23,5)28(25)16-18-30(26,27)6/h9-11,20-22,24-28H,8,12-19H2,1-7H3/b10-9+/t21-,22-,24+,25+,26-,27+,28+,29+,30-/m1/s1

description: This dataset contains experimental data from a sample ((3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene, InChI=1S/C30H50O/c1-8-22(20(2)3)10-9-21(4)26-13-14-27-25-12-11-23-19-24(31-7)15-17-29(23,5)28(25)16-18-30(26,27)6/h9-11,20-22,24-28H,8,12-19H2,1-7H3/b10-9+/t21-,22-,24+,25+,26-,27+,28+,29+,30-/m1/s1). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/waiqwyalyscyla-lvvyubkhsa-n/ir
title: infrared absorption spectroscopy (IR) ((3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene)
title: InChI=1S/C30H50O/c1-8-22(20(2)3)10-9-21(4)26-13-14-27-25-12-11-23-19-24(31-7)15-17-29(23,5)28(25)16-18-30(26,27)6/h9-11,20-22,24-28H,8,12-19H2,1-7H3/b10-9+/t21-,22-,24+,25+,26-,27+,28+,29+,30-/m1/s1

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2961, 2935, 2863, 2853, 2095, 1737, 1459, 1449, 1380, 1367, 1333, 1254, 1239, 1191, 1152, 1115, 1102, 1068, 1021, 996, 970, 959, 943, 926, 870, 839, 799, 779, 735, 671, 628, 564, 517, 486, 433 cm–1.
DOI: 10.14272/wslojdpasdbxgf-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (prop-2-enyl N-(3,5-dimethoxyphenyl)carbamate)
title: InChI=1S/C12H15NO4/c1-4-5-17-12(14)13-9-6-10(15-2)8-11(7-9)16-3/h4,6-8H,1,5H2,2-3H3,(H,13,14)

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3360, 3136, 3083, 3006, 2991, 2948, 2938, 2898, 2832, 1723, 1615, 1605, 1548, 1484, 1452, 1419, 1358, 1336, 1293, 1260, 1207, 1195, 1156, 1083, 1071, 1036, 1001, 993, 969, 924, 828, 816, 775, 765, 687, 677, 650, 622, 604, 540, 495, 461, 436, 412 cm–1.
DOI: 10.14272/byskcsgnijnmlm-uhfffaoysa-n.1
title: C20H20F3N3O
title: InChI=1S/C20H20F3N3O/c1-19(2,3)18(27)24-17-15-6-4-5-7-16(15)26(25-17)12-13-8-10-14(11-9-13)20(21,22)23/h4-11H,12H2,1-3H3,(H,24,25,27)

description: This dataset contains experimental data from a sample (InChI=1S/C20H20F3N3O/c1-19(2,3)18(27)24-17-15-6-4-5-7-16(15)26(25-17)12-13-8-10-14(11-9-13)20(21,22)23/h4-11H,12H2,1-3H3,(H,24,25,27)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/byskcsgnijnmlm-uhfffaoysa-n/ir
title: IR (, InChI=1S/C20H20F3N3O/c1-19(2,3)18(27)24-17-15-6-4-5-7-16(15)26(25-17)12-13-8-10-14(11-9-13)20(21,22)23/h4-11H,12H2,1-3H3,(H,24,25,27))

description: dataset for IR
      
      IR (ATR, ṽ) = 3296, 2961, 2871, 1681, 1618, 1581, 1516, 1482, 1428, 1402, 1368, 1323, 1258, 1194, 1164, 1139, 1113, 1067, 1020, 1006, 925, 849, 823, 799, 764, 742, 704, 656, 632, 598, 561, 494, 429, 408 cm–1.
DOI: 10.14272/dprultzugldcpz-uhfffaoysa-n.1
title: 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
title: InChI=1S/C12H25N3O6/c13-15-14-1-3-17-5-7-19-9-11-21-12-10-20-8-6-18-4-2-16/h16H,1-12H2

description: This dataset contains experimental data from a sample (2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol, InChI=1S/C12H25N3O6/c13-15-14-1-3-17-5-7-19-9-11-21-12-10-20-8-6-18-4-2-16/h16H,1-12H2). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/dprultzugldcpz-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol)
title: InChI=1S/C12H25N3O6/c13-15-14-1-3-17-5-7-19-9-11-21-12-10-20-8-6-18-4-2-16/h16H,1-12H2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3452, 2905, 2866, 2360, 2342, 2098, 1740, 1670, 1655, 1456, 1347, 1285, 1248, 1098, 996, 936, 884, 849, 669, 643, 555 cm–1.
DOI: 10.14272/dsyqxfrpidflbx-uhfffaoysa-n.1
title: C21H21F3N2O
title: InChI=1S/C21H21F3N2O/c1-2-3-12-26-14-15(18-6-4-5-7-19(18)26)13-20(27)25-17-10-8-16(9-11-17)21(22,23)24/h4-11,14H,2-3,12-13H2,1H3,(H,25,27)

description: This dataset contains experimental data from a sample (InChI=1S/C21H21F3N2O/c1-2-3-12-26-14-15(18-6-4-5-7-19(18)26)13-20(27)25-17-10-8-16(9-11-17)21(22,23)24/h4-11,14H,2-3,12-13H2,1H3,(H,25,27)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/dsyqxfrpidflbx-uhfffaoysa-n/ir
title: IR (, InChI=1S/C21H21F3N2O/c1-2-3-12-26-14-15(18-6-4-5-7-19(18)26)13-20(27)25-17-10-8-16(9-11-17)21(22,23)24/h4-11,14H,2-3,12-13H2,1H3,(H,25,27))

description: dataset for IR
      
      IR (ATR, ṽ) = 3291, 3261, 3200, 3131, 3061, 2959, 2932, 2874, 1657, 1606, 1538, 1469, 1408, 1373, 1320, 1306, 1256, 1205, 1183, 1163, 1153, 1109, 1065, 1016, 958, 925, 836, 756, 738, 690, 674, 633, 592, 558, 504, 428, 387 cm–1.
DOI: 10.14272/kmudoysmqvphjd-uhfffaoysa-n.1
title: C21H20F3NO
title: InChI=1S/C21H20F3NO/c1-20(2,3)19(26)17-13-25(18-7-5-4-6-16(17)18)12-14-8-10-15(11-9-14)21(22,23)24/h4-11,13H,12H2,1-3H3

description: This dataset contains experimental data from a sample (InChI=1S/C21H20F3NO/c1-20(2,3)19(26)17-13-25(18-7-5-4-6-16(17)18)12-14-8-10-15(11-9-14)21(22,23)24/h4-11,13H,12H2,1-3H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/kmudoysmqvphjd-uhfffaoysa-n/ir
title: IR (, InChI=1S/C21H20F3NO/c1-20(2,3)19(26)17-13-25(18-7-5-4-6-16(17)18)12-14-8-10-15(11-9-14)21(22,23)24/h4-11,13H,12H2,1-3H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 2969, 2931, 2912, 2873, 1629, 1611, 1521, 1476, 1462, 1435, 1419, 1391, 1364, 1323, 1254, 1198, 1184, 1160, 1120, 1111, 1065, 1016, 899, 827, 807, 779, 754, 720, 667, 591, 574, 493, 432, 381 cm–1.
DOI: 10.14272/sxqijdcgjnzekg-uhfffaoysa-n.1
title: C18H20F3N3O
title: InChI=1S/C18H20F3N3O/c1-5-6-7-11-24-15(22-16(25)17(2,3)4)12-9-8-10-13(14(12)23-24)18(19,20)21/h1,8-10H,6-7,11H2,2-4H3,(H,22,25)

description: This dataset contains experimental data from a sample (InChI=1S/C18H20F3N3O/c1-5-6-7-11-24-15(22-16(25)17(2,3)4)12-9-8-10-13(14(12)23-24)18(19,20)21/h1,8-10H,6-7,11H2,2-4H3,(H,22,25)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/sxqijdcgjnzekg-uhfffaoysa-n/ir
title: IR (, InChI=1S/C18H20F3N3O/c1-5-6-7-11-24-15(22-16(25)17(2,3)4)12-9-8-10-13(14(12)23-24)18(19,20)21/h1,8-10H,6-7,11H2,2-4H3,(H,22,25))

description: dataset for IR
      
      IR (ATR, ṽ) = 3281, 2976, 2956, 2932, 2908, 2871, 2360, 2342, 1669, 1635, 1571, 1543, 1489, 1475, 1460, 1445, 1402, 1378, 1358, 1333, 1310, 1299, 1272, 1248, 1228, 1210, 1160, 1140, 1118, 1045, 1028, 1010, 973, 956, 941, 919, 875, 846, 810, 800, 766, 752, 694, 676, 654, 647, 632, 599, 585, 565, 506, 473, 385 cm–1.
DOI: 10.14272/sykvzypzqczdsu-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (ethyl 4-[bis(1H-pyrrol-2-yl)methyl]benzoate)
title: InChI=1S/C18H18N2O2/c1-2-22-18(21)14-9-7-13(8-10-14)17(15-5-3-11-19-15)16-6-4-12-20-16/h3-12,17,19-20H,2H2,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3350, 3316, 1693, 1606, 1577, 1557, 1470, 1449, 1432, 1418, 1366, 1310, 1286, 1258, 1237, 1215, 1180, 1133, 1115, 1098, 1091, 1024, 970, 885, 866, 819, 800, 793, 781, 735, 722, 703, 657, 635, 599, 585, 511, 497, 425 cm–1.
DOI: 10.14272/vrxquhmzeduoni-uhfffaoysa-n.1
title: C25H21F3N2O
title: InChI=1S/C25H21F3N2O/c1-17-6-8-18(9-7-17)15-30-16-19(22-4-2-3-5-23(22)30)14-24(31)29-21-12-10-20(11-13-21)25(26,27)28/h2-13,16H,14-15H2,1H3,(H,29,31)

description: This dataset contains experimental data from a sample (InChI=1S/C25H21F3N2O/c1-17-6-8-18(9-7-17)15-30-16-19(22-4-2-3-5-23(22)30)14-24(31)29-21-12-10-20(11-13-21)25(26,27)28/h2-13,16H,14-15H2,1H3,(H,29,31)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/vrxquhmzeduoni-uhfffaoysa-n/ir
title: IR (, InChI=1S/C25H21F3N2O/c1-17-6-8-18(9-7-17)15-30-16-19(22-4-2-3-5-23(22)30)14-24(31)29-21-12-10-20(11-13-21)25(26,27)28/h2-13,16H,14-15H2,1H3,(H,29,31))

description: dataset for IR
      
      IR (ATR, ṽ) = 3305, 2918, 1676, 1615, 1599, 1521, 1511, 1468, 1438, 1407, 1377, 1351, 1319, 1303, 1256, 1205, 1180, 1154, 1120, 1109, 1065, 1016, 965, 925, 857, 837, 827, 809, 790, 778, 747, 734, 701, 690, 646, 632, 606, 591, 564, 538, 513, 504, 472, 426, 409, 385 cm–1.
DOI: 10.14272/yrwkqoywcxvfkl-wukndpdisa-n.1
title: C15H14N2OS
title: InChI=1S/C15H14N2OS/c1-12(18)19-11-13-7-9-15(10-8-13)17-16-14-5-3-2-4-6-14/h2-10H,11H2,1H3/b17-16+

description: This dataset contains experimental data from a sample (InChI=1S/C15H14N2OS/c1-12(18)19-11-13-7-9-15(10-8-13)17-16-14-5-3-2-4-6-14/h2-10H,11H2,1H3/b17-16+).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/yrwkqoywcxvfkl-wukndpdisa-n/ir
title: IR (, InChI=1S/C15H14N2OS/c1-12(18)19-11-13-7-9-15(10-8-13)17-16-14-5-3-2-4-6-14/h2-10H,11H2,1H3/b17-16+)

description: dataset for IR
      
      IR (ATR, ṽ) = 3067, 3040, 2360, 2342, 1687, 1598, 1582, 1497, 1485, 1465, 1441, 1414, 1404, 1351, 1303, 1241, 1220, 1198, 1152, 1129, 1098, 1069, 1016, 1010, 1000, 949, 922, 866, 840, 827, 785, 765, 684, 623, 552, 528, 513, 483, 416, 398, 385 cm–1.
DOI: 10.14272/foxwyacibjlkln-uhfffaoysa-n.1
title: C16H23N3O
title: InChI=1S/C16H23N3O/c1-5-6-11-19-13-10-8-7-9-12(13)14(18-19)17-15(20)16(2,3)4/h7-10H,5-6,11H2,1-4H3,(H,17,18,20)

description: This dataset contains experimental data from a sample (InChI=1S/C16H23N3O/c1-5-6-11-19-13-10-8-7-9-12(13)14(18-19)17-15(20)16(2,3)4/h7-10H,5-6,11H2,1-4H3,(H,17,18,20)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/foxwyacibjlkln-uhfffaoysa-n/ir
title: IR (, InChI=1S/C16H23N3O/c1-5-6-11-19-13-10-8-7-9-12(13)14(18-19)17-15(20)16(2,3)4/h7-10H,5-6,11H2,1-4H3,(H,17,18,20))

description: dataset for IR
      
      IR (ATR, ṽ) = 3252, 3064, 3043, 2955, 2931, 2870, 1681, 1619, 1578, 1517, 1499, 1455, 1428, 1418, 1407, 1364, 1353, 1324, 1312, 1275, 1261, 1239, 1203, 1177, 1164, 1139, 1082, 1020, 1004, 924, 834, 795, 769, 742, 681, 653, 579, 558, 548, 484, 432 cm–1.
DOI: 10.14272/iurisrnfecqlrh-uhfffaoysa-n.1
title: 3-phenyl-3,4-dihydro-1H-quinoxalin-2-one
title: InChI=1S/C14H12N2O/c17-14-13(10-6-2-1-3-7-10)15-11-8-4-5-9-12(11)16-14/h1-9,13,15H,(H,16,17)

description: This dataset contains experimental data from a sample (3-phenyl-3,4-dihydro-1H-quinoxalin-2-one, InChI=1S/C14H12N2O/c17-14-13(10-6-2-1-3-7-10)15-11-8-4-5-9-12(11)16-14/h1-9,13,15H,(H,16,17)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/iurisrnfecqlrh-uhfffaoysa-n/ir
title: IR (3-phenyl-3,4-dihydro-1H-quinoxalin-2-one, InChI=1S/C14H12N2O/c17-14-13(10-6-2-1-3-7-10)15-11-8-4-5-9-12(11)16-14/h1-9,13,15H,(H,16,17))

description: dataset for IR
      
      IR (ATR, ṽ) = 3308, 3187, 3145, 3108, 3053, 3029, 2963, 2894, 2802, 2360, 2340, 1667, 1598, 1514, 1502, 1472, 1452, 1428, 1377, 1339, 1309, 1285, 1255, 1238, 1174, 1157, 1149, 1119, 1101, 1069, 1024, 1003, 983, 945, 915, 849, 832, 803, 764, 732, 701, 681, 670, 619, 595, 560, 547, 480, 443, 421, 407, 397, 385 cm–1.
DOI: 10.14272/lptitagpbxddgr-bebhxbeksa-n.1
title: [(3S,4S,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
title: InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12?,13-,14-,15?,16+/m0/s1

description: This dataset contains experimental data from a sample ([(3S,4S,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate, InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12?,13-,14-,15?,16+/m0/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/lptitagpbxddgr-bebhxbeksa-n/ir
title: IR ([(3S,4S,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate, InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12?,13-,14-,15?,16+/m0/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 2985, 2364, 1741, 1434, 1370, 1208, 1174, 1150, 1136, 1113, 1068, 1045, 1010, 931, 899, 834, 755, 737, 698, 654, 628, 601, 591, 575, 520, 472, 435, 421, 402, 392 cm–1.
DOI: 10.14272/lyszufsftgordt-uhfffaoysa-n.1
title: C20H18O2
title: InChI=1S/C20H18O2/c1-13-5-7-14(8-6-13)15-9-10-19-16(11-15)12-17-18(21)3-2-4-20(17)22-19/h5-12,20H,2-4H2,1H3

description: This dataset contains experimental data from a sample (InChI=1S/C20H18O2/c1-13-5-7-14(8-6-13)15-9-10-19-16(11-15)12-17-18(21)3-2-4-20(17)22-19/h5-12,20H,2-4H2,1H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/lyszufsftgordt-uhfffaoysa-n/ir
title: IR (, InChI=1S/C20H18O2/c1-13-5-7-14(8-6-13)15-9-10-19-16(11-15)12-17-18(21)3-2-4-20(17)22-19/h5-12,20H,2-4H2,1H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3024, 2924, 2853, 2360, 2342, 1701, 1673, 1609, 1574, 1561, 1520, 1486, 1455, 1398, 1374, 1315, 1293, 1254, 1238, 1217, 1184, 1160, 1133, 1071, 1057, 1038, 1016, 996, 969, 953, 933, 922, 904, 890, 881, 847, 806, 775, 756, 737, 691, 669, 649, 623, 594, 567, 537, 521, 501, 459, 419, 408, 397, 384, 377 cm–1.
DOI: 10.14272/wmwpzpcqgrtjnk-uhfffaoysa-n.1
title: C25H24O9
title: InChI=1S/C25H24O9/c1-13-11-17(30-2)21-16(26)12-25(24(29)32-4,18-9-10-19(27)33-18)34-22(21)20(13)14-5-7-15(8-6-14)23(28)31-3/h5-8,11,18H,9-10,12H2,1-4H3

description: This dataset contains experimental data from a sample (InChI=1S/C25H24O9/c1-13-11-17(30-2)21-16(26)12-25(24(29)32-4,18-9-10-19(27)33-18)34-22(21)20(13)14-5-7-15(8-6-14)23(28)31-3/h5-8,11,18H,9-10,12H2,1-4H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/wmwpzpcqgrtjnk-uhfffaoysa-n/ir
title: IR (, InChI=1S/C25H24O9/c1-13-11-17(30-2)21-16(26)12-25(24(29)32-4,18-9-10-19(27)33-18)34-22(21)20(13)14-5-7-15(8-6-14)23(28)31-3/h5-8,11,18H,9-10,12H2,1-4H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3340, 2956, 2921, 2851, 2361, 2342, 1779, 1751, 1724, 1680, 1604, 1568, 1557, 1516, 1479, 1459, 1435, 1407, 1388, 1375, 1336, 1317, 1268, 1251, 1186, 1162, 1125, 1112, 1091, 1054, 1027, 1018, 1004, 999, 962, 935, 915, 877, 861, 846, 810, 772, 764, 720, 711, 686, 659, 632, 602, 589, 577, 535, 517, 489, 449, 404 cm–1.
DOI: 10.14272/wvvvhtqodweaag-uhfffaoysa-n.1
title: C18H25NO
title: InChI=1S/C18H25NO/c1-5-6-9-12-19-13-15(17(20)18(2,3)4)14-10-7-8-11-16(14)19/h7-8,10-11,13H,5-6,9,12H2,1-4H3

description: This dataset contains experimental data from a sample (InChI=1S/C18H25NO/c1-5-6-9-12-19-13-15(17(20)18(2,3)4)14-10-7-8-11-16(14)19/h7-8,10-11,13H,5-6,9,12H2,1-4H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/yexsqzvkklpkme-ropmgspzsa-n.1
title: C15H18O
title: InChI=1S/C15H18O/c16-15(14-11-7-4-8-12-14)13-9-5-2-1-3-6-10-13/h1-2,4,7-8,10-12,15-16H,3,5-6,9H2/b2-1-,13-10+

description: This dataset contains experimental data from a sample (InChI=1S/C15H18O/c16-15(14-11-7-4-8-12-14)13-9-5-2-1-3-6-10-13/h1-2,4,7-8,10-12,15-16H,3,5-6,9H2/b2-1-,13-10+).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/yexsqzvkklpkme-ropmgspzsa-n/ir
title: IR (, InChI=1S/C15H18O/c16-15(14-11-7-4-8-12-14)13-9-5-2-1-3-6-10-13/h1-2,4,7-8,10-12,15-16H,3,5-6,9H2/b2-1-,13-10+)

description: dataset for IR
      
      IR (ATR, ṽ) = 3393, 3016, 2938, 2881, 2840, 2361, 2342, 1715, 1645, 1598, 1578, 1560, 1541, 1534, 1516, 1490, 1448, 1428, 1363, 1316, 1269, 1248, 1228, 1198, 1176, 1044, 1024, 823, 796, 700, 669, 657, 552, 385 cm–1.
DOI: 10.14272/zkgvszcahwjhdj-rmknxtfcsa-n.1
title: methyl (E)-3-[4-(dimethylamino)phenyl]prop-2-enoate
title: InChI=1S/C12H15NO2/c1-13(2)11-7-4-10(5-8-11)6-9-12(14)15-3/h4-9H,1-3H3/b9-6+

description: This dataset contains experimental data from a sample (methyl (E)-3-[4-(dimethylamino)phenyl]prop-2-enoate, InChI=1S/C12H15NO2/c1-13(2)11-7-4-10(5-8-11)6-9-12(14)15-3/h4-9H,1-3H3/b9-6+).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/zkgvszcahwjhdj-rmknxtfcsa-n/ir
title: IR (methyl (E)-3-[4-(dimethylamino)phenyl]prop-2-enoate, InChI=1S/C12H15NO2/c1-13(2)11-7-4-10(5-8-11)6-9-12(14)15-3/h4-9H,1-3H3/b9-6+)

description: dataset for IR
      
      IR (ATR, ṽ) = 2945, 2908, 2844, 2812, 1698, 1622, 1596, 1551, 1524, 1442, 1367, 1330, 1306, 1262, 1222, 1186, 1157, 1133, 1067, 1017, 983, 950, 933, 857, 837, 810, 749, 737, 694, 530, 516, 469, 381 cm–1.
DOI: 10.14272/bmimnrpaepiydn-uhfffaoysa-n.3
title: 3-methyl-1H-quinoxalin-2-one
title: InChI=1S/C9H8N2O/c1-6-9(12)11-8-5-3-2-4-7(8)10-6/h2-5H,1H3,(H,11,12)

description: This dataset contains experimental data from a sample (3-methyl-1H-quinoxalin-2-one, InChI=1S/C9H8N2O/c1-6-9(12)11-8-5-3-2-4-7(8)10-6/h2-5H,1H3,(H,11,12)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/bmimnrpaepiydn-uhfffaoysa-n/ir.4
title: IR (3-methyl-1H-quinoxalin-2-one, InChI=1S/C9H8N2O/c1-6-9(12)11-8-5-3-2-4-7(8)10-6/h2-5H,1H3,(H,11,12))

description: dataset for IR
      
      IR (ATR, ṽ) = 3163, 3098, 3004, 2958, 2883, 2833, 2769, 2710, 2361, 2342, 1953, 1921, 1807, 1659, 1601, 1567, 1502, 1485, 1432, 1424, 1380, 1353, 1344, 1276, 1208, 1188, 1156, 1122, 1026, 1007, 975, 945, 928, 888, 854, 779, 751, 727, 693, 670, 599, 584, 561, 517, 476, 469, 453, 418, 385 cm–1.
DOI: 10.14272/fwaklckphownrd-uhfffaoysa-n.1
title: C18H24F3N3O
title: InChI=1S/C18H24F3N3O/c1-5-6-7-11-24-15(22-16(25)17(2,3)4)12-9-8-10-13(14(12)23-24)18(19,20)21/h8-10H,5-7,11H2,1-4H3,(H,22,25)

description: This dataset contains experimental data from a sample (InChI=1S/C18H24F3N3O/c1-5-6-7-11-24-15(22-16(25)17(2,3)4)12-9-8-10-13(14(12)23-24)18(19,20)21/h8-10H,5-7,11H2,1-4H3,(H,22,25)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/hirilknkrvzjad-nvqstnctsa-n.1
title: C25H27F3N4O
title: InChI=1S/C25H27F3N4O/c1-16(2)32(17(3)4)31-30-23-19(11-8-14-22(23)25(26,27)28)15-29-24(33)21-13-7-10-18-9-5-6-12-20(18)21/h5-14,16-17H,15H2,1-4H3,(H,29,33)/b31-30+

description: This dataset contains experimental data from a sample (InChI=1S/C25H27F3N4O/c1-16(2)32(17(3)4)31-30-23-19(11-8-14-22(23)25(26,27)28)15-29-24(33)21-13-7-10-18-9-5-6-12-20(18)21/h5-14,16-17H,15H2,1-4H3,(H,29,33)/b31-30+).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/hirilknkrvzjad-nvqstnctsa-n/ir
title: IR (, InChI=1S/C25H27F3N4O/c1-16(2)32(17(3)4)31-30-23-19(11-8-14-22(23)25(26,27)28)15-29-24(33)21-13-7-10-18-9-5-6-12-20(18)21/h5-14,16-17H,15H2,1-4H3,(H,29,33)/b31-30+)

description: dataset for IR
      
      IR (ATR, ṽ) = 3240, 3235, 3089, 3064, 2979, 2935, 2907, 2871, 2361, 2340, 1666, 1645, 1592, 1581, 1557, 1507, 1463, 1446, 1405, 1384, 1364, 1349, 1322, 1310, 1272, 1262, 1224, 1190, 1164, 1128, 1096, 1082, 1038, 1024, 967, 916, 888, 870, 806, 779, 741, 720, 669, 656, 606, 578, 547, 534, 523, 507, 469, 452, 409, 384 cm–1.
DOI: 10.14272/idmxnlfamnrzkc-ccezhusrsa-n.1
title: C13H21N3O
title: InChI=1S/C13H21N3O/c1-10(2)16(11(3)4)15-14-13-8-6-5-7-12(13)9-17/h5-8,10-11,17H,9H2,1-4H3/b15-14+

description: This dataset contains experimental data from a sample (InChI=1S/C13H21N3O/c1-10(2)16(11(3)4)15-14-13-8-6-5-7-12(13)9-17/h5-8,10-11,17H,9H2,1-4H3/b15-14+).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/idmxnlfamnrzkc-ccezhusrsa-n/ir
title: IR (, InChI=1S/C13H21N3O/c1-10(2)16(11(3)4)15-14-13-8-6-5-7-12(13)9-17/h5-8,10-11,17H,9H2,1-4H3/b15-14+)

description: dataset for IR
      
      IR (ATR, ṽ) = 3363, 3318, 3064, 2969, 2931, 2868, 2361, 2342, 1579, 1479, 1463, 1404, 1380, 1366, 1286, 1272, 1261, 1224, 1196, 1146, 1128, 1108, 1092, 1026, 945, 915, 887, 858, 822, 799, 759, 745, 714, 669, 640, 603, 582, 545, 514, 492, 446, 416, 398, 384 cm–1.