cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/hilnxgbhrivsod-ppmyxagcsa-n/ir
title: infrared absorption spectroscopy (IR) ((2S,3S,5S,8R,9S,10S,13S,14S)-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one)
title: InChI=1S/C19H30O3/c1-18-8-7-14-12(13(18)5-6-17(18)22)4-3-11-9-15(20)16(21)10-19(11,14)2/h11-16,20-21H,3-10H2,1-2H3/t11-,12-,13-,14-,15-,16-,18-,19-/m0/s1

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3560, 3471, 2978, 2927, 2907, 2864, 2849, 2820, 2364, 1706, 1446, 1426, 1400, 1375, 1357, 1337, 1293, 1278, 1258, 1244, 1196, 1169, 1122, 1106, 1085, 1047, 1027, 1009, 976, 962, 926, 915, 895, 847, 830, 823, 802, 766, 715, 649, 608, 589, 565, 537, 470, 453, 429, 418, 398, 385 cm–1.
DOI: 10.14272/owhqydlzzgoeon-uhfffaoysa-n.4
title: C17H15BrO
title: InChI=1S/C17H15BrO/c18-17-10-13-2-1-12-3-5-14(16(9-12)11-19)7-8-15(17)6-4-13/h3-6,9-11H,1-2,7-8H2

description: This dataset contains experimental data from a sample (InChI=1S/C17H15BrO/c18-17-10-13-2-1-12-3-5-14(16(9-12)11-19)7-8-15(17)6-4-13/h3-6,9-11H,1-2,7-8H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/owhqydlzzgoeon-uhfffaoysa-n/ir.3
title: IR (, InChI=1S/C17H15BrO/c18-17-10-13-2-1-12-3-5-14(16(9-12)11-19)7-8-15(17)6-4-13/h3-6,9-11H,1-2,7-8H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 2922, 2894, 2851, 2825, 2749, 1676, 1584, 1547, 1538, 1473, 1451, 1435, 1390, 1319, 1281, 1221, 1180, 1142, 1028, 970, 908, 880, 837, 809, 771, 718, 705, 645, 620, 594, 514, 476, 455, 433 cm–1.
DOI: 10.14272/oyklqgvmjmpacf-uhfffaoysa-n.1
title: C17H22O3
title: InChI=1S/C17H22O3/c1-6-7-8-13-9-14-12(4)15(19-5)10(2)11(3)16(14)20-17(13)18/h9H,6-8H2,1-5H3

description: This dataset contains experimental data from a sample (3-butyl-6-methoxy-5,7,8-trimethylchromen-2-one, InChI=1S/C17H22O3/c1-6-7-8-13-9-14-12(4)15(19-5)10(2)11(3)16(14)20-17(13)18/h9H,6-8H2,1-5H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/ybhhzzzvxqumbb-wcwdxbqesa-n.1
title: C20H25FN4O
title: InChI=1S/C20H25FN4O/c1-14(2)25(15(3)4)24-23-19-12-8-11-18(21)17(19)13-22-20(26)16-9-6-5-7-10-16/h5-12,14-15H,13H2,1-4H3,(H,22,26)/b24-23+

description: This dataset contains experimental data from a sample (InChI=1S/C20H25FN4O/c1-14(2)25(15(3)4)24-23-19-12-8-11-18(21)17(19)13-22-20(26)16-9-6-5-7-10-16/h5-12,14-15H,13H2,1-4H3,(H,22,26)/b24-23+).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/ybhhzzzvxqumbb-wcwdxbqesa-n/ir
title: IR (, InChI=1S/C20H25FN4O/c1-14(2)25(15(3)4)24-23-19-12-8-11-18(21)17(19)13-22-20(26)16-9-6-5-7-10-16/h5-12,14-15H,13H2,1-4H3,(H,22,26)/b24-23+)

description: dataset for IR
      
      IR (ATR, ṽ) = 3303, 2980, 2968, 2936, 2864, 2361, 2342, 1704, 1625, 1604, 1577, 1527, 1487, 1458, 1400, 1381, 1363, 1313, 1285, 1278, 1254, 1228, 1210, 1153, 1128, 1096, 1077, 1057, 1027, 1011, 931, 908, 873, 849, 815, 802, 775, 734, 721, 707, 697, 667, 646, 625, 615, 565, 543, 523, 507, 493, 439, 415, 385 cm–1.
DOI: 10.14272/akgjlrbwmcypco-fdzqodhasa-n.1
title: C40H49N3O11
title: InChI=1S/C40H49N3O11/c1-8-34(44)41-31(39(47)52-6)20-29(35(41)25-12-16-27(51-5)17-13-25)37(45)42-32(40(48)53-7)21-30(36(42)24-10-14-26(15-11-24)43(49)50)38(46)54-33-19-23(4)9-18-28(33)22(2)3/h8,10-17,22-23,28-33,35-36H,1,9,18-21H2,2-7H3/t23-,28+,29-,30+,31-,32+,33-,35-,36+/m1/s1

description: This dataset contains experimental data from a sample (InChI=1S/C40H49N3O11/c1-8-34(44)41-31(39(47)52-6)20-29(35(41)25-12-16-27(51-5)17-13-25)37(45)42-32(40(48)53-7)21-30(36(42)24-10-14-26(15-11-24)43(49)50)38(46)54-33-19-23(4)9-18-28(33)22(2)3/h8,10-17,22-23,28-33,35-36H,1,9,18-21H2,2-7H3/t23-,28+,29-,30+,31-,32+,33-,35-,36+/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/akgjlrbwmcypco-fdzqodhasa-n/ir
title: IR (, InChI=1S/C40H49N3O11/c1-8-34(44)41-31(39(47)52-6)20-29(35(41)25-12-16-27(51-5)17-13-25)37(45)42-32(40(48)53-7)21-30(36(42)24-10-14-26(15-11-24)43(49)50)38(46)54-33-19-23(4)9-18-28(33)22(2)3/h8,10-17,22-23,28-33,35-36H,1,9,18-21H2,2-7H3/t23-,28+,29-,30+,31-,32+,33-,35-,36+/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 2953, 2871, 2364, 1737, 1655, 1612, 1514, 1414, 1346, 1247, 1200, 1173, 1111, 1078, 1030, 1014, 979, 950, 841, 817, 796, 698, 608, 574, 537, 517, 470, 459, 436, 421, 405, 397, 385 cm–1.
DOI: 10.14272/bcoiudgkuyyxrx-uhfffaoysa-n/ir.2
title: IR (, InChI=1S/C17H14BrN/c18-17-10-13-2-1-12-3-5-14(16(9-12)11-19)7-8-15(17)6-4-13/h3-6,9-10H,1-2,7-8H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 3044, 2961, 2927, 2895, 2853, 2220, 1680, 1582, 1537, 1472, 1449, 1435, 1388, 1187, 1028, 967, 905, 875, 839, 759, 721, 707, 696, 671, 649, 611, 582, 504, 486, 469, 395 cm–1.
DOI: 10.14272/duexjizwujecgu-lyaghacysa-n.1
title: C54H40F2N4O4
title: InChI=1S/C54H40F2N4O4/c1-3-63-53(61)37-17-13-35(14-18-37)51-47-27-23-43(57-47)41(21-11-33-7-5-9-39(55)31-33)45-25-29-49(59-45)52(36-15-19-38(20-16-36)54(62)64-4-2)50-30-26-46(60-50)42(44-24-28-48(51)58-44)22-12-34-8-6-10-40(56)32-34/h5-32,57,60H,3-4H2,1-2H3/b21-11+,22-12+,43-41-,44-42-,45-41-,46-42-,51-47-,51-48-,52-49-,52-50-

description: This dataset contains experimental data from a sample (InChI=1S/C54H40F2N4O4/c1-3-63-53(61)37-17-13-35(14-18-37)51-47-27-23-43(57-47)41(21-11-33-7-5-9-39(55)31-33)45-25-29-49(59-45)52(36-15-19-38(20-16-36)54(62)64-4-2)50-30-26-46(60-50)42(44-24-28-48(51)58-44)22-12-34-8-6-10-40(56)32-34/h5-32,57,60H,3-4H2,1-2H3/b21-11+,22-12+,43-41-,44-42-,45-41-,46-42-,51-47-,51-48-,52-49-,52-50-). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/duexjizwujecgu-lyaghacysa-n/ir
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C54H40F2N4O4/c1-3-63-53(61)37-17-13-35(14-18-37)51-47-27-23-43(57-47)41(21-11-33-7-5-9-39(55)31-33)45-25-29-49(59-45)52(36-15-19-38(20-16-36)54(62)64-4-2)50-30-26-46(60-50)42(44-24-28-48(51)58-44)22-12-34-8-6-10-40(56)32-34/h5-32,57,60H,3-4H2,1-2H3/b21-11+,22-12+,43-41-,44-42-,45-41-,46-42-,51-47-,51-48-,52-49-,52-50-

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2919, 2850, 1710, 1605, 1579, 1555, 1473, 1445, 1401, 1364, 1307, 1265, 1174, 1146, 1108, 1096, 1021, 972, 941, 928, 871, 847, 809, 795, 776, 762, 734, 721, 707, 679, 635, 571, 560, 518, 497, 455, 414, 392 cm–1.
DOI: 10.14272/dzfzhikgklpbtm-uhfffaoysa-n.1
title: C22H25NSi2
title: InChI=1S/C22H25NSi2/c1-24(2,3)13-11-17-7-9-21-19(15-17)20-16-18(8-10-22(20)23-21)12-14-25(4,5)6/h7-10,15-16,23H,1-6H3

description: This dataset contains experimental data from a sample (InChI=1S/C22H25NSi2/c1-24(2,3)13-11-17-7-9-21-19(15-17)20-16-18(8-10-22(20)23-21)12-14-25(4,5)6/h7-10,15-16,23H,1-6H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/dzfzhikgklpbtm-uhfffaoysa-n/ir
title: IR (, InChI=1S/C22H25NSi2/c1-24(2,3)13-11-17-7-9-21-19(15-17)20-16-18(8-10-22(20)23-21)12-14-25(4,5)6/h7-10,15-16,23H,1-6H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3360, 2956, 2897, 2138, 1626, 1604, 1480, 1453, 1394, 1283, 1245, 1222, 1204, 1152, 1130, 1020, 938, 861, 836, 806, 756, 737, 697, 660, 637, 599, 547, 537, 479, 470, 412 cm–1.
DOI: 10.14272/frtvleztkrswbw-uhfffaoysa-n.1
title: C61H39N7O3
title: InChI=1S/C61H39N7O3/c1-70-55(69)35-34-54-63-64-61(71-54)56-57(65-46-26-10-2-18-37(46)38-19-3-11-27-47(38)65)45(36-62)58(66-48-28-12-4-20-39(48)40-21-5-13-29-49(40)66)60(68-52-32-16-8-24-43(52)44-25-9-17-33-53(44)68)59(56)67-50-30-14-6-22-41(50)42-23-7-15-31-51(42)67/h2-33H,34-35H2,1H3

description: This dataset contains experimental data from a sample (methyl 3-[5-[2,3,4,6-tetra(carbazol-9-yl)-5-cyanophenyl]-1,3,4-oxadiazol-2-yl]propanoate, InChI=1S/C61H39N7O3/c1-70-55(69)35-34-54-63-64-61(71-54)56-57(65-46-26-10-2-18-37(46)38-19-3-11-27-47(38)65)45(36-62)58(66-48-28-12-4-20-39(48)40-21-5-13-29-49(40)66)60(68-52-32-16-8-24-43(52)44-25-9-17-33-53(44)68)59(56)67-50-30-14-6-22-41(50)42-23-7-15-31-51(42)67/h2-33H,34-35H2,1H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/frtvleztkrswbw-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (methyl 3-[5-[2,3,4,6-tetra(carbazol-9-yl)-5-cyanophenyl]-1,3,4-oxadiazol-2-yl]propanoate)
title: InChI=1S/C61H39N7O3/c1-70-55(69)35-34-54-63-64-61(71-54)56-57(65-46-26-10-2-18-37(46)38-19-3-11-27-47(38)65)45(36-62)58(66-48-28-12-4-20-39(48)40-21-5-13-29-49(40)66)60(68-52-32-16-8-24-43(52)44-25-9-17-33-53(44)68)59(56)67-50-30-14-6-22-41(50)42-23-7-15-31-51(42)67/h2-33H,34-35H2,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3061, 3046, 3020, 2946, 1738, 1723, 1626, 1598, 1567, 1544, 1490, 1477, 1446, 1373, 1333, 1309, 1273, 1248, 1222, 1152, 1118, 1043, 1027, 1011, 980, 926, 841, 786, 744, 720, 686, 618, 598, 577, 558, 548, 527, 487, 441, 428, 421 cm–1.
DOI: 10.14272/ivkcvzvsjrfirc-mbqjpoqhsa-n.1
title: C42H26I2N6
title: InChI=1S/C42H26I2N6/c43-29-5-1-25(2-6-29)39-31-9-13-35(47-31)41(27-17-21-45-22-18-27)37-15-11-33(49-37)40(26-3-7-30(44)8-4-26)34-12-16-38(50-34)42(28-19-23-46-24-20-28)36-14-10-32(39)48-36/h1-24,47,50H/b39-31-,39-32-,40-33-,40-34-,41-35-,41-37-,42-36-,42-38-

description: This dataset contains experimental data from a sample (InChI=1S/C42H26I2N6/c43-29-5-1-25(2-6-29)39-31-9-13-35(47-31)41(27-17-21-45-22-18-27)37-15-11-33(49-37)40(26-3-7-30(44)8-4-26)34-12-16-38(50-34)42(28-19-23-46-24-20-28)36-14-10-32(39)48-36/h1-24,47,50H/b39-31-,39-32-,40-33-,40-34-,41-35-,41-37-,42-36-,42-38-). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/juyjsfszarwdpq-uhfffaoysa-n.1
title: C64H36N8O
title: InChI=1S/C64H36N8O/c65-37-39-33-35-40(36-34-39)63-67-68-64(73-63)58-59(69-50-25-9-1-17-41(50)42-18-2-10-26-51(42)69)49(38-66)60(70-52-27-11-3-19-43(52)44-20-4-12-28-53(44)70)62(72-56-31-15-7-23-47(56)48-24-8-16-32-57(48)72)61(58)71-54-29-13-5-21-45(54)46-22-6-14-30-55(46)71/h1-36H

description: This dataset contains experimental data from a sample (InChI=1S/C64H36N8O/c65-37-39-33-35-40(36-34-39)63-67-68-64(73-63)58-59(69-50-25-9-1-17-41(50)42-18-2-10-26-51(42)69)49(38-66)60(70-52-27-11-3-19-43(52)44-20-4-12-28-53(44)70)62(72-56-31-15-7-23-47(56)48-24-8-16-32-57(48)72)61(58)71-54-29-13-5-21-45(54)46-22-6-14-30-55(46)71/h1-36H).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/juyjsfszarwdpq-uhfffaoysa-n/ir
title: IR (, InChI=1S/C64H36N8O/c65-37-39-33-35-40(36-34-39)63-67-68-64(73-63)58-59(69-50-25-9-1-17-41(50)42-18-2-10-26-51(42)69)49(38-66)60(70-52-27-11-3-19-43(52)44-20-4-12-28-53(44)70)62(72-56-31-15-7-23-47(56)48-24-8-16-32-57(48)72)61(58)71-54-29-13-5-21-45(54)46-22-6-14-30-55(46)71/h1-36H)

description: dataset for IR
      
      IR (ATR, ṽ) = 3050, 2227, 1626, 1594, 1579, 1547, 1490, 1479, 1446, 1370, 1334, 1310, 1296, 1282, 1221, 1180, 1150, 1088, 1014, 997, 967, 925, 912, 861, 847, 836, 742, 721, 619, 609, 584, 555, 551, 528, 443, 422 cm–1.
DOI: 10.14272/nmjvkmhzzwxxqo-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(33(39)40)37(31(26)23-13-9-6-10-14-23)32(38)25-18-27(35(42)43-4)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(33(39)40)37(31(26)23-13-9-6-10-14-23)32(38)25-18-27(35(42)43-4)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/nmjvkmhzzwxxqo-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(33(39)40)37(31(26)23-13-9-6-10-14-23)32(38)25-18-27(35(42)43-4)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, 2928, 2864, 2360, 1731, 1625, 1496, 1455, 1434, 1370, 1305, 1242, 1214, 1208, 1179, 1095, 1027, 1014, 980, 953, 911, 844, 823, 781, 749, 700, 669, 605, 565, 527, 517, 431, 385 cm–1.
DOI: 10.14272/oyklqgvmjmpacf-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (3-butyl-6-methoxy-5,7,8-trimethylchromen-2-one)
title: InChI=1S/C17H22O3/c1-6-7-8-13-9-14-12(4)15(19-5)10(2)11(3)16(14)20-17(13)18/h9H,6-8H2,1-5H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2952, 2927, 2867, 2834, 2360, 1704, 1633, 1598, 1570, 1455, 1380, 1336, 1327, 1305, 1286, 1254, 1213, 1197, 1139, 1108, 1092, 1037, 1006, 946, 928, 904, 895, 885, 824, 798, 781, 762, 751, 731, 690, 654, 619, 592, 577, 530, 493, 432, 405, 385 cm–1.
DOI: 10.14272/bqldyarbqzeeiu-uhfffaoysa-n.2
title: 2-(3,4,5-trifluorophenyl)-1,3-benzothiazole
title: InChI=1S/C13H6F3NS/c14-8-5-7(6-9(15)12(8)16)13-17-10-3-1-2-4-11(10)18-13/h1-6H

description: This dataset contains experimental data from a sample (2-(3,4,5-trifluorophenyl)-1,3-benzothiazole, InChI=1S/C13H6F3NS/c14-8-5-7(6-9(15)12(8)16)13-17-10-3-1-2-4-11(10)18-13/h1-6H).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/bqldyarbqzeeiu-uhfffaoysa-n/ir.1
title: IR (2-(3,4,5-trifluorophenyl)-1,3-benzothiazole, InChI=1S/C13H6F3NS/c14-8-5-7(6-9(15)12(8)16)13-17-10-3-1-2-4-11(10)18-13/h1-6H)

description: dataset for IR
      
      IR (ATR, ṽ) = 1625, 1603, 1556, 1535, 1493, 1427, 1350, 1309, 1274, 1244, 1203, 1172, 1160, 1121, 1042, 1026, 942, 895, 871, 842, 824, 756, 746, 728, 708, 701, 657, 610, 581, 518, 434 cm–1.
DOI: 10.14272/bttkmqsvzmbgji-hvchmmkdsa-n.1
title: C42H54N2O8
title: InChI=1S/C42H54N2O8/c1-9-35(45)43-33(41(49)52-42(5,6)7)23-30(36(43)27-16-12-10-13-17-27)38(46)44-32(40(48)50-8)24-31(37(44)28-18-14-11-15-19-28)39(47)51-34-22-26(4)20-21-29(34)25(2)3/h9-19,25-26,29-34,36-37H,1,20-24H2,2-8H3/t26-,29+,30-,31+,32+,33-,34-,36-,37+/m1/s1

description: This dataset contains experimental data from a sample (InChI=1S/C42H54N2O8/c1-9-35(45)43-33(41(49)52-42(5,6)7)23-30(36(43)27-16-12-10-13-17-27)38(46)44-32(40(48)50-8)24-31(37(44)28-18-14-11-15-19-28)39(47)51-34-22-26(4)20-21-29(34)25(2)3/h9-19,25-26,29-34,36-37H,1,20-24H2,2-8H3/t26-,29+,30-,31+,32+,33-,34-,36-,37+/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/bttkmqsvzmbgji-hvchmmkdsa-n/ir
title: IR (, InChI=1S/C42H54N2O8/c1-9-35(45)43-33(41(49)52-42(5,6)7)23-30(36(43)27-16-12-10-13-17-27)38(46)44-32(40(48)50-8)24-31(37(44)28-18-14-11-15-19-28)39(47)51-34-22-26(4)20-21-29(34)25(2)3/h9-19,25-26,29-34,36-37H,1,20-24H2,2-8H3/t26-,29+,30-,31+,32+,33-,34-,36-,37+/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 2952, 2928, 2360, 1734, 1656, 1618, 1455, 1414, 1366, 1285, 1249, 1238, 1200, 1171, 1152, 1082, 1011, 979, 952, 911, 846, 824, 796, 756, 730, 701, 592, 405 cm–1.
DOI: 10.14272/dpxolbjovnimlo-vjjobefpsa-n.1
title: C28H41NO4Si
title: InChI=1S/C28H41NO4Si/c1-18(2)22-13-8-19(3)16-25(22)33-27(30)23-17-24(28(31)32-4)29-26(23)21-11-9-20(10-12-21)14-15-34(5,6)7/h9-12,18-19,22-26,29H,8,13,16-17H2,1-7H3/t19-,22+,23+,24+,25-,26+/m1/s1

description: This dataset contains experimental data from a sample (InChI=1S/C28H41NO4Si/c1-18(2)22-13-8-19(3)16-25(22)33-27(30)23-17-24(28(31)32-4)29-26(23)21-11-9-20(10-12-21)14-15-34(5,6)7/h9-12,18-19,22-26,29H,8,13,16-17H2,1-7H3/t19-,22+,23+,24+,25-,26+/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/dpxolbjovnimlo-vjjobefpsa-n/ir
title: IR (, InChI=1S/C28H41NO4Si/c1-18(2)22-13-8-19(3)16-25(22)33-27(30)23-17-24(28(31)32-4)29-26(23)21-11-9-20(10-12-21)14-15-34(5,6)7/h9-12,18-19,22-26,29H,8,13,16-17H2,1-7H3/t19-,22+,23+,24+,25-,26+/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 2952, 2928, 2360, 1734, 1656, 1618, 1455, 1414, 1366, 1285, 1249, 1238, 1200, 1171, 1152, 1082, 1011, 979, 952, 911, 846, 824, 796, 756, 730, 701, 592 cm–1.
DOI: 10.14272/ivkcvzvsjrfirc-mbqjpoqhsa-n/ir
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C42H26I2N6/c43-29-5-1-25(2-6-29)39-31-9-13-35(47-31)41(27-17-21-45-22-18-27)37-15-11-33(49-37)40(26-3-7-30(44)8-4-26)34-12-16-38(50-34)42(28-19-23-46-24-20-28)36-14-10-32(39)48-36/h1-24,47,50H/b39-31-,39-32-,40-33-,40-34-,41-35-,41-37-,42-36-,42-38-

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3320, 2918, 2856, 1588, 1561, 1537, 1472, 1402, 1385, 1346, 1217, 1186, 1096, 1057, 1007, 997, 966, 881, 836, 793, 783, 732, 724, 714, 684, 656, 640, 629, 561, 514, 465, 435 cm–1.
DOI: 10.14272/mhbrsyxiczektg-uhfffaoysa-n.1
title: C24H19N13
title: InChI=1S/C24H15N9.2H2N2/c25-31-28-22-7-1-16(2-8-22)19-13-20(17-3-9-23(10-4-17)29-32-26)15-21(14-19)18-5-11-24(12-6-18)30-33-27;2*1-2/h1-15H;2*1H2

description: This dataset contains experimental data from a sample (InChI=1S/C24H15N9.2H2N2/c25-31-28-22-7-1-16(2-8-22)19-13-20(17-3-9-23(10-4-17)29-32-26)15-21(14-19)18-5-11-24(12-6-18)30-33-27;2*1-2/h1-15H;2*1H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/mhbrsyxiczektg-uhfffaoysa-n/ir
title: IR (, InChI=1S/C24H15N9.2H2N2/c25-31-28-22-7-1-16(2-8-22)19-13-20(17-3-9-23(10-4-17)29-32-26)15-21(14-19)18-5-11-24(12-6-18)30-33-27;2*1-2/h1-15H;2*1H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 3036, 2963, 2415, 2404, 2262, 2108, 2068, 1883, 1768, 1596, 1574, 1504, 1442, 1395, 1371, 1293, 1272, 1187, 1167, 1130, 1111, 1085, 1014, 878, 847, 812, 803, 786, 744, 698, 664, 640, 592, 565, 530, 520, 509, 497, 473, 416, 392 cm–1.
DOI: 10.14272/rkcaixngyqccal-cevvszfksa-n.1
title: C20H14N4
title: InChI=1S/C20H14N4/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14/h1-12,21,24H/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-

description: This dataset contains experimental data from a sample (InChI=1S/C20H14N4/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14/h1-12,21,24H/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/rkcaixngyqccal-cevvszfksa-n/ir
title: IR (, InChI=1S/C20H14N4/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14/h1-12,21,24H/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-)

description: dataset for IR
      
      IR (ATR, ṽ) = 3301, 3097, 1707, 1536, 1400, 1350, 1283, 1249, 1221, 1184, 1135, 1045, 966, 946, 897, 850, 836, 793, 766, 741, 724, 714, 688, 639, 394 cm–1.
DOI: 10.14272/xkegmwvbdjovic-jmnohudfsa-n.1
title: C39H52N2O7
title: InChI=1S/C39H52N2O7/c1-23(2)27-19-18-24(3)20-32(27)47-36(43)29-22-31(38(45)46-7)41(34(29)26-16-12-9-13-17-26)35(42)28-21-30(37(44)48-39(4,5)6)40-33(28)25-14-10-8-11-15-25/h8-17,23-24,27-34,40H,18-22H2,1-7H3/t24-,27+,28-,29+,30-,31+,32-,33-,34+/m1/s1

description: This dataset contains experimental data from a sample (InChI=1S/C39H52N2O7/c1-23(2)27-19-18-24(3)20-32(27)47-36(43)29-22-31(38(45)46-7)41(34(29)26-16-12-9-13-17-26)35(42)28-21-30(37(44)48-39(4,5)6)40-33(28)25-14-10-8-11-15-25/h8-17,23-24,27-34,40H,18-22H2,1-7H3/t24-,27+,28-,29+,30-,31+,32-,33-,34+/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/xkegmwvbdjovic-jmnohudfsa-n/ir
title: IR (, InChI=1S/C39H52N2O7/c1-23(2)27-19-18-24(3)20-32(27)47-36(43)29-22-31(38(45)46-7)41(34(29)26-16-12-9-13-17-26)35(42)28-21-30(37(44)48-39(4,5)6)40-33(28)25-14-10-8-11-15-25/h8-17,23-24,27-34,40H,18-22H2,1-7H3/t24-,27+,28-,29+,30-,31+,32-,33-,34+/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 2952, 2935, 2871, 2364, 1730, 1647, 1456, 1434, 1388, 1367, 1310, 1248, 1193, 1171, 1156, 1109, 1095, 1069, 1030, 1014, 982, 950, 909, 846, 823, 793, 783, 751, 731, 701, 669, 649, 596, 543, 517, 404, 397, 385 cm–1.
DOI: 10.14272/xyqjnpuplvhwiy-ggldvgbhsa-n.1
title: C37H47N3O10
title: InChI=1S/C37H47N3O10/c1-20(2)26-16-7-21(3)17-31(26)50-35(42)28-19-30(37(44)49-6)39(33(28)23-8-12-24(13-9-23)40(45)46)34(41)27-18-29(36(43)48-5)38-32(27)22-10-14-25(47-4)15-11-22/h8-15,20-21,26-33,38H,7,16-19H2,1-6H3/t21-,26+,27-,28+,29-,30+,31-,32-,33+/m1/s1

description: This dataset contains experimental data from a sample (InChI=1S/C37H47N3O10/c1-20(2)26-16-7-21(3)17-31(26)50-35(42)28-19-30(37(44)49-6)39(33(28)23-8-12-24(13-9-23)40(45)46)34(41)27-18-29(36(43)48-5)38-32(27)22-10-14-25(47-4)15-11-22/h8-15,20-21,26-33,38H,7,16-19H2,1-6H3/t21-,26+,27-,28+,29-,30+,31-,32-,33+/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/xyqjnpuplvhwiy-ggldvgbhsa-n/ir
title: IR (, InChI=1S/C37H47N3O10/c1-20(2)26-16-7-21(3)17-31(26)50-35(42)28-19-30(37(44)49-6)39(33(28)23-8-12-24(13-9-23)40(45)46)34(41)27-18-29(36(43)48-5)38-32(27)22-10-14-25(47-4)15-11-22/h8-15,20-21,26-33,38H,7,16-19H2,1-6H3/t21-,26+,27-,28+,29-,30+,31-,32-,33+/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 2952, 2870, 2367, 1732, 1649, 1609, 1517, 1455, 1434, 1419, 1370, 1346, 1247, 1198, 1174, 1108, 1031, 1014, 952, 914, 853, 833, 816, 782, 768, 749, 734, 697, 543, 517, 435, 418, 405, 398, 385 cm–1.
DOI: 10.14272/aqejhfimrxvfan-uhfffaoysa-n.1
title: C20H21NO
title: InChI=1S/C20H21NO/c1-2-3-13-21-15-18(17-11-7-8-12-19(17)21)20(22)14-16-9-5-4-6-10-16/h4-12,15H,2-3,13-14H2,1H3

description: This dataset contains experimental data from a sample (InChI=1S/C20H21NO/c1-2-3-13-21-15-18(17-11-7-8-12-19(17)21)20(22)14-16-9-5-4-6-10-16/h4-12,15H,2-3,13-14H2,1H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/bzvjuwydemojmh-uhfffaoysa-n.2
title: ethyl 3-iodo-1H-indole-2-carboxylate
title: InChI=1S/C11H10INO2/c1-2-15-11(14)10-9(12)7-5-3-4-6-8(7)13-10/h3-6,13H,2H2,1H3

description: This dataset contains experimental data from a sample (ethyl 3-iodo-1H-indole-2-carboxylate, InChI=1S/C11H10INO2/c1-2-15-11(14)10-9(12)7-5-3-4-6-8(7)13-10/h3-6,13H,2H2,1H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/bzvjuwydemojmh-uhfffaoysa-n/ir.1
title: IR (ethyl 3-iodo-1H-indole-2-carboxylate, InChI=1S/C11H10INO2/c1-2-15-11(14)10-9(12)7-5-3-4-6-8(7)13-10/h3-6,13H,2H2,1H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3369, 3291, 3230, 2981, 1682, 1615, 1568, 1505, 1470, 1442, 1417, 1397, 1376, 1366, 1327, 1301, 1254, 1223, 1193, 1160, 1142, 1109, 1028, 1007, 932, 907, 881, 858, 773, 754, 740, 683, 634, 599, 565, 430 cm–1.
DOI: 10.14272/dfgwiaosyurbrh-foclmdbbsa-n.1
title: C13H11BrN2
title: InChI=1S/C13H11BrN2/c14-10-11-6-8-13(9-7-11)16-15-12-4-2-1-3-5-12/h1-9H,10H2/b16-15+

description: This dataset contains experimental data from a sample (InChI=1S/C13H11BrN2/c14-10-11-6-8-13(9-7-11)16-15-12-4-2-1-3-5-12/h1-9H,10H2/b16-15+).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/dfgwiaosyurbrh-foclmdbbsa-n/ir
title: IR (, InChI=1S/C13H11BrN2/c14-10-11-6-8-13(9-7-11)16-15-12-4-2-1-3-5-12/h1-9H,10H2/b16-15+)

description: dataset for IR
      
      IR (ATR, ṽ) = 3735, 3044, 2361, 2342, 1579, 1485, 1465, 1441, 1412, 1300, 1221, 1194, 1147, 1108, 1091, 1069, 1017, 1010, 1000, 973, 924, 875, 850, 840, 793, 781, 766, 739, 684, 633, 602, 544, 526, 509, 482, 470, 419, 405, 398, 385 cm–1.
DOI: 10.14272/jtlouxxzzffbbw-gqctyliasa-n.2
title: methyl (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
title: InChI=1S/C11H12O4/c1-14-10-5-3-8(7-9(10)12)4-6-11(13)15-2/h3-7,12H,1-2H3/b6-4+

description: This dataset contains experimental data from a sample (methyl (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate, InChI=1S/C11H12O4/c1-14-10-5-3-8(7-9(10)12)4-6-11(13)15-2/h3-7,12H,1-2H3/b6-4+).
      The datasets from the following experiments are available:
      
      IR