cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/jvsrwnlxeiobkn-zzjjtstksa-n.1
title: C28H38O4
title: InChI=1S/C28H38O4/c1-18(29)31-28-15-20-9-10-21-22-11-12-24(30-17-19-7-5-4-6-8-19)26(22,2)14-13-23(21)27(20,3)16-25(28)32-28/h4-8,20-25H,9-17H2,1-3H3/t20-,21-,22-,23-,24-,25+,26-,27-,28-/m0/s1

description: This dataset contains experimental data from a sample ([(1S,2S,4R,6R,8S,11R,12S,15S,16S)-2,16-dimethyl-15-phenylmethoxy-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadecan-6-yl] acetate, InChI=1S/C28H38O4/c1-18(29)31-28-15-20-9-10-21-22-11-12-24(30-17-19-7-5-4-6-8-19)26(22,2)14-13-23(21)27(20,3)16-25(28)32-28/h4-8,20-25H,9-17H2,1-3H3/t20-,21-,22-,23-,24-,25+,26-,27-,28-/m0/s1). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/jvsrwnlxeiobkn-zzjjtstksa-n/ir
title: infrared absorption spectroscopy (IR) ([(1S,2S,4R,6R,8S,11R,12S,15S,16S)-2,16-dimethyl-15-phenylmethoxy-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadecan-6-yl] acetate)
title: InChI=1S/C28H38O4/c1-18(29)31-28-15-20-9-10-21-22-11-12-24(30-17-19-7-5-4-6-8-19)26(22,2)14-13-23(21)27(20,3)16-25(28)32-28/h4-8,20-25H,9-17H2,1-3H3/t20-,21-,22-,23-,24-,25+,26-,27-,28-/m0/s1

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2934, 2844, 1741, 1732, 1456, 1368, 1224, 1194, 1173, 1153, 1132, 1089, 1074, 1055, 1043, 1027, 1001, 990, 911, 822, 732, 698, 459 cm–1.
DOI: 10.14272/lekaonixulwcpq-riyzihgnsa-n.1
title: C20H21NO4
title: InChI=1S/C20H21NO4/c1-24-20(23)18(21-17-11-6-3-7-12-17)13-8-14-19(22)25-15-16-9-4-2-5-10-16/h2-12,14,18,21H,13,15H2,1H3/b14-8+

description: This dataset contains experimental data from a sample (InChI=1S/C20H21NO4/c1-24-20(23)18(21-17-11-6-3-7-12-17)13-8-14-19(22)25-15-16-9-4-2-5-10-16/h2-12,14,18,21H,13,15H2,1H3/b14-8+).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/lekaonixulwcpq-riyzihgnsa-n/ir
title: IR (, InChI=1S/C20H21NO4/c1-24-20(23)18(21-17-11-6-3-7-12-17)13-8-14-19(22)25-15-16-9-4-2-5-10-16/h2-12,14,18,21H,13,15H2,1H3/b14-8+)

description: dataset for IR
      
      IR (ATR, ṽ) = 3387, 3031, 2948, 1717, 1653, 1602, 1507, 1497, 1456, 1434, 1313, 1261, 1210, 1164, 1082, 1024, 1014, 980, 749, 694 cm–1.
DOI: 10.14272/mimmukgdvpaqtm-uhfffaoysa-n.1
title: C30H27F2N3O2
title: InChI=1S/C30H27F2N3O2/c1-2-37-30(36)29-13-18(24-16-33-26-14-19(31)8-10-22(24)26)12-28(35(29)21-6-4-3-5-7-21)25-17-34-27-15-20(32)9-11-23(25)27/h3-11,14-18,28-29,33-34H,2,12-13H2,1H3

description: This dataset contains experimental data from a sample (InChI=1S/C30H27F2N3O2/c1-2-37-30(36)29-13-18(24-16-33-26-14-19(31)8-10-22(24)26)12-28(35(29)21-6-4-3-5-7-21)25-17-34-27-15-20(32)9-11-23(25)27/h3-11,14-18,28-29,33-34H,2,12-13H2,1H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/mimmukgdvpaqtm-uhfffaoysa-n/ir
title: IR (, InChI=1S/C30H27F2N3O2/c1-2-37-30(36)29-13-18(24-16-33-26-14-19(31)8-10-22(24)26)12-28(35(29)21-6-4-3-5-7-21)25-17-34-27-15-20(32)9-11-23(25)27/h3-11,14-18,28-29,33-34H,2,12-13H2,1H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3412, 2927, 2847, 1717, 1697, 1625, 1592, 1558, 1493, 1456, 1341, 1296, 1248, 1220, 1177, 1136, 1118, 1091, 1034, 1023, 950, 931, 834, 799, 764, 752, 697, 602, 572, 501, 476, 435 cm–1.
DOI: 10.14272/mtwzkvczbwmwjp-uhfffaoysa-n.1
title: C36H24BNO2
title: InChI=1S/C36H24BNO2/c1-3-11-27(12-4-1)38(28-13-5-2-6-14-28)29-21-19-25(20-22-29)26-23-32-30-15-7-9-17-34(30)39-37-36(32)33(24-26)31-16-8-10-18-35(31)40-37/h1-24H

description: This dataset contains experimental data from a sample (4-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-N,N-diphenylaniline, InChI=1S/C36H24BNO2/c1-3-11-27(12-4-1)38(28-13-5-2-6-14-28)29-21-19-25(20-22-29)26-23-32-30-15-7-9-17-34(30)39-37-36(32)33(24-26)31-16-8-10-18-35(31)40-37/h1-24H). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/mtwzkvczbwmwjp-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (4-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-N,N-diphenylaniline)
title: InChI=1S/C36H24BNO2/c1-3-11-27(12-4-1)38(28-13-5-2-6-14-28)29-21-19-25(20-22-29)26-23-32-30-15-7-9-17-34(30)39-37-36(32)33(24-26)31-16-8-10-18-35(31)40-37/h1-24H

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3068, 3037, 2361, 2340, 1609, 1592, 1581, 1554, 1514, 1492, 1449, 1425, 1402, 1397, 1373, 1339, 1326, 1279, 1247, 1211, 1181, 1156, 1119, 1103, 1089, 1075, 1038, 1030, 1006, 933, 874, 857, 830, 781, 747, 725, 694, 669, 649, 635, 619, 596, 575, 533, 511, 496, 456, 439, 429, 419, 407, 397, 385 cm–1.
DOI: 10.14272/mvyboclzwgbzbt-uhfffaoysa-n.3
title: methyl 4-(4-methoxycarbonyl-2-nitrophenyl)-3-nitrobenzoate
title: InChI=1S/C16H12N2O8/c1-25-15(19)9-3-5-11(13(7-9)17(21)22)12-6-4-10(16(20)26-2)8-14(12)18(23)24/h3-8H,1-2H3

description: This dataset contains experimental data from a sample (methyl 4-(4-methoxycarbonyl-2-nitrophenyl)-3-nitrobenzoate, InChI=1S/C16H12N2O8/c1-25-15(19)9-3-5-11(13(7-9)17(21)22)12-6-4-10(16(20)26-2)8-14(12)18(23)24/h3-8H,1-2H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/mvyboclzwgbzbt-uhfffaoysa-n/ir.2
title: infrared absorption spectroscopy (IR) (methyl 4-(4-methoxycarbonyl-2-nitrophenyl)-3-nitrobenzoate)
title: InChI=1S/C16H12N2O8/c1-25-15(19)9-3-5-11(13(7-9)17(21)22)12-6-4-10(16(20)26-2)8-14(12)18(23)24/h3-8H,1-2H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3429, 3091, 3006, 2953, 2849, 2363, 2337, 1721, 1616, 1564, 1524, 1482, 1452, 1435, 1341, 1306, 1285, 1251, 1196, 1157, 1112, 1098, 1004, 983, 965, 935, 916, 905, 897, 871, 860, 823, 768, 754, 724, 708, 694, 676, 654, 603, 560, 517, 482, 448, 438, 407, 398, 384 cm–1.
DOI: 10.14272/odoqkwuklachro-uhfffaoysa-n.1
title: 2-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole
title: InChI=1S/C15H14N2/c1-2-6-12(7-3-1)15(13-8-4-10-16-13)14-9-5-11-17-14/h1-11,15-17H

description: This dataset contains experimental data from a sample (2-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole, InChI=1S/C15H14N2/c1-2-6-12(7-3-1)15(13-8-4-10-16-13)14-9-5-11-17-14/h1-11,15-17H).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/odoqkwuklachro-uhfffaoysa-n/ir
title: IR (2-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole, InChI=1S/C15H14N2/c1-2-6-12(7-3-1)15(13-8-4-10-16-13)14-9-5-11-17-14/h1-11,15-17H)

description: dataset for IR
      
      IR (ATR, ṽ) = 3363, 3339, 1554, 1455, 1419, 1319, 1258, 1113, 1095, 1024, 973, 885, 792, 776, 737, 722, 713, 701, 687, 666, 592, 581, 501 cm–1.
DOI: 10.14272/piwpqqgmfpdeon-uhfffaoysa-n.1
title: isoquinolin-7-yl trifluoromethanesulfonate
title: InChI=1S/C10H6F3NO3S/c11-10(12,13)18(15,16)17-9-2-1-7-3-4-14-6-8(7)5-9/h1-6H

description: This dataset contains experimental data from a sample (isoquinolin-7-yl trifluoromethanesulfonate, InChI=1S/C10H6F3NO3S/c11-10(12,13)18(15,16)17-9-2-1-7-3-4-14-6-8(7)5-9/h1-6H). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/piwpqqgmfpdeon-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (isoquinolin-7-yl trifluoromethanesulfonate)
title: InChI=1S/C10H6F3NO3S/c11-10(12,13)18(15,16)17-9-2-1-7-3-4-14-6-8(7)5-9/h1-6H

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 1582, 1499, 1421, 1207, 1160, 1136, 1112, 1028, 959, 912, 874, 839, 703, 649, 606, 585, 517, 501, 476 cm–1.
DOI: 10.14272/xjmyzmqhgwlnbw-uhfffaoysa-n.1
title: C10H16O4
title: InChI=1S/C10H16O4/c1-7(11)5-4-6-9(8(2)12)10(13)14-3/h9H,4-6H2,1-3H3

description: This dataset contains experimental data from a sample (InChI=1S/C10H16O4/c1-7(11)5-4-6-9(8(2)12)10(13)14-3/h9H,4-6H2,1-3H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/xjmyzmqhgwlnbw-uhfffaoysa-n/ir
title: IR (, InChI=1S/C10H16O4/c1-7(11)5-4-6-9(8(2)12)10(13)14-3/h9H,4-6H2,1-3H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 2952, 1735, 1708, 1435, 1358, 1242, 1204, 1149, 986, 946, 717, 602 cm–1.
DOI: 10.14272/hkyzjmcevgeaaj-xyokqwhbsa-n.1
title: C17H23NO4
title: InChI=1S/C17H23NO4/c1-17(2,3)22-15(19)12-8-11-14(16(20)21-4)18-13-9-6-5-7-10-13/h5-10,12,14,18H,11H2,1-4H3/b12-8+

description: This dataset contains experimental data from a sample (InChI=1S/C17H23NO4/c1-17(2,3)22-15(19)12-8-11-14(16(20)21-4)18-13-9-6-5-7-10-13/h5-10,12,14,18H,11H2,1-4H3/b12-8+).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/hkyzjmcevgeaaj-xyokqwhbsa-n/ir
title: IR (, InChI=1S/C17H23NO4/c1-17(2,3)22-15(19)12-8-11-14(16(20)21-4)18-13-9-6-5-7-10-13/h5-10,12,14,18H,11H2,1-4H3/b12-8+)

description: dataset for IR
      
      IR (ATR, ṽ) = 3344, 2956, 2919, 2849, 1727, 1698, 1659, 1602, 1499, 1368, 1351, 1317, 1255, 1230, 1211, 1186, 1152, 1136, 1091, 1074, 1048, 1033, 982, 970, 844, 778, 754, 694, 677, 671, 540, 479, 419, 399 cm–1.
DOI: 10.14272/iptnlpiuhzddko-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (7-ethoxy-3-[(4-fluorophenyl)methyl]-5-methoxychromen-2-one)
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: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2980, 2935, 2919, 2851, 1706, 1618, 1575, 1510, 1499, 1462, 1425, 1402, 1366, 1307, 1245, 1225, 1201, 1171, 1156, 1115, 1050, 1013, 973, 959, 935, 904, 895, 871, 854, 819, 810, 771, 761, 724, 690, 645, 565, 541, 521, 486, 459, 421, 377 cm–1.
DOI: 10.14272/mbtzmvkqswoars-uhfffaoysa-n.1
title: C18H15FO4
title: InChI=1S/C18H15FO4/c1-21-14-9-16(22-2)15-8-12(18(20)23-17(15)10-14)7-11-3-5-13(19)6-4-11/h3-6,8-10H,7H2,1-2H3

description: This dataset contains experimental data from a sample (3-[(4-fluorophenyl)methyl]-5,7-dimethoxychromen-2-one, InChI=1S/C18H15FO4/c1-21-14-9-16(22-2)15-8-12(18(20)23-17(15)10-14)7-11-3-5-13(19)6-4-11/h3-6,8-10H,7H2,1-2H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/nhbxzvuesurqsl-zvcxthfisa-n.1
title: C12H15N3O4S
title: InChI=1S/C12H15N3O4S/c13-15-14-6-8-9(16)10(17)11(18)12(19-8)20-7-4-2-1-3-5-7/h1-5,8-12,16-18H,6H2/t8?,9-,10+,11?,12+/m1/s1

description: This dataset contains experimental data from a sample (InChI=1S/C12H15N3O4S/c13-15-14-6-8-9(16)10(17)11(18)12(19-8)20-7-4-2-1-3-5-7/h1-5,8-12,16-18H,6H2/t8?,9-,10+,11?,12+/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/nhbxzvuesurqsl-zvcxthfisa-n/ir
title: IR (, InChI=1S/C12H15N3O4S/c13-15-14-6-8-9(16)10(17)11(18)12(19-8)20-7-4-2-1-3-5-7/h1-5,8-12,16-18H,6H2/t8?,9-,10+,11?,12+/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 3509, 3504, 3301, 2927, 2101, 1582, 1480, 1439, 1361, 1340, 1298, 1275, 1239, 1221, 1078, 1065, 1044, 1024, 1003, 986, 969, 928, 864, 824, 737, 705, 688, 640, 589, 577, 551, 482, 469, 433, 419, 398 cm–1.
DOI: 10.14272/qokcgdsbhftlmz-uhfffaoysa-n.1
title: C8H12N2O3
title: InChI=1S/C8H12N2O3/c1-6(11)4-3-5-7(10-9)8(12)13-2/h3-5H2,1-2H3

description: This dataset contains experimental data from a sample (InChI=1S/C8H12N2O3/c1-6(11)4-3-5-7(10-9)8(12)13-2/h3-5H2,1-2H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/qokcgdsbhftlmz-uhfffaoysa-n/ir
title: IR (, InChI=1S/C8H12N2O3/c1-6(11)4-3-5-7(10-9)8(12)13-2/h3-5H2,1-2H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 2955, 2078, 1749, 1731, 1715, 1456, 1436, 1374, 1358, 1315, 1266, 1234, 1193, 1157, 1122, 1064, 1048, 939, 397 cm–1.
DOI: 10.14272/rejbtxqsiqfrre-nqfmhkjysa-n.1
title: 3-[(5S,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
title: InChI=1S/C23H32O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15,17-19,26H,3-10,12-13H2,1-2H3/t15-,17+,18-,19+,21-,22+,23-/m0/s1

description: This dataset contains experimental data from a sample (3-[(5S,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, InChI=1S/C23H32O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15,17-19,26H,3-10,12-13H2,1-2H3/t15-,17+,18-,19+,21-,22+,23-/m0/s1). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/snqabjuaaunsej-uhfffaoysa-n.1
title: 1,3-bis(4-fluorophenyl)thiourea
title: InChI=1S/C13H10F2N2S/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18)

description: This dataset contains experimental data from a sample (N,N'-bis(4-fluorophenyl)carbamimidothioic acid, InChI=1S/C13H10F2N2S/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/snqabjuaaunsej-uhfffaoysa-n/ir
title: IR (N,N'-bis(4-fluorophenyl)carbamimidothioic acid, InChI=1S/C13H10F2N2S/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18))

description: dataset for IR
      
      IR (ATR, ṽ) = 3213, 3012, 2371, 1604, 1531, 1502, 1414, 1398, 1350, 1330, 1289, 1254, 1231, 1204, 1150, 1086, 1013, 925, 902, 840, 810, 762, 718, 711, 664, 635, 622, 567, 545, 507, 439, 421, 404, 385 cm–1.
DOI: 10.14272/vbrxsywnzwfbaq-uhfffaoysa-n.1
title: C22H22O4S2
title: InChI=1S/C22H22O4S2/c1-5-25-21(23)19-11-17(13(3)27-19)15-7-9-16(10-8-15)18-12-20(28-14(18)4)22(24)26-6-2/h7-12H,5-6H2,1-4H3

description: This dataset contains experimental data from a sample (InChI=1S/C22H22O4S2/c1-5-25-21(23)19-11-17(13(3)27-19)15-7-9-16(10-8-15)18-12-20(28-14(18)4)22(24)26-6-2/h7-12H,5-6H2,1-4H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/vbrxsywnzwfbaq-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C22H22O4S2/c1-5-25-21(23)19-11-17(13(3)27-19)15-7-9-16(10-8-15)18-12-20(28-14(18)4)22(24)26-6-2/h7-12H,5-6H2,1-4H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3064, 2995, 2959, 2902, 2095, 1707, 1555, 1519, 1476, 1452, 1443, 1409, 1390, 1363, 1272, 1239, 1150, 1115, 1082, 1024, 1014, 990, 975, 907, 878, 847, 830, 800, 748, 708, 657, 645, 533, 482, 411 cm–1.
DOI: 10.14272/xfzzzomhbhburh-uhfffaoysa-n.1
title: tert-butyl 4-aminobutanoate
title: InChI=1S/C8H17NO2/c1-8(2,3)11-7(10)5-4-6-9/h4-6,9H2,1-3H3

description: This dataset contains experimental data from a sample (tert-butyl 4-aminobutanoate, InChI=1S/C8H17NO2/c1-8(2,3)11-7(10)5-4-6-9/h4-6,9H2,1-3H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/xfzzzomhbhburh-uhfffaoysa-n/ir
title: IR (tert-butyl 4-aminobutanoate, InChI=1S/C8H17NO2/c1-8(2,3)11-7(10)5-4-6-9/h4-6,9H2,1-3H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3248, 2970, 2932, 2874, 2091, 1724, 1681, 1606, 1560, 1489, 1465, 1449, 1424, 1391, 1366, 1286, 1256, 1211, 1152, 1068, 1017, 994, 918, 844, 773, 751, 705, 686, 628, 605, 550, 473, 431 cm–1.
DOI: 10.14272/yjuttwpyvsunqj-uhfffaoysa-n.1
title: C20H19ClO4
title: InChI=1S/C20H19ClO4/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-chlorophenyl)methyl]-5-methoxy-7-propoxychromen-2-one, InChI=1S/C20H19ClO4/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/yjuttwpyvsunqj-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (3-[(4-chlorophenyl)methyl]-5-methoxy-7-propoxychromen-2-one)
title: InChI=1S/C20H19ClO4/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) = 3088, 2975, 2958, 2944, 2922, 2876, 1715, 1612, 1575, 1489, 1456, 1426, 1405, 1366, 1300, 1252, 1245, 1203, 1170, 1159, 1113, 1089, 1061, 1050, 1016, 1003, 989, 952, 933, 914, 901, 882, 840, 820, 809, 796, 778, 762, 742, 731, 724, 717, 696, 649, 611, 560, 544, 506, 411, 397, 385 cm–1.
DOI: 10.14272/zstipxpowkyobr-uhfffaoysa-n.1
title: 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylphosphonic acid
title: InChI=1S/C8H18N3O6P/c9-11-10-1-2-15-3-4-16-5-6-17-7-8-18(12,13)14/h1-8H2,(H2,12,13,14)

description: This dataset contains experimental data from a sample (2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylphosphonic acid, InChI=1S/C8H18N3O6P/c9-11-10-1-2-15-3-4-16-5-6-17-7-8-18(12,13)14/h1-8H2,(H2,12,13,14)). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/zstipxpowkyobr-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylphosphonic acid)
title: InChI=1S/C8H18N3O6P/c9-11-10-1-2-15-3-4-16-5-6-17-7-8-18(12,13)14/h1-8H2,(H2,12,13,14)

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2915, 2871, 2095, 1667, 1445, 1350, 1283, 1241, 1176, 1088, 1001, 928, 851, 829, 782, 747, 714, 646, 513, 467 cm–1.
DOI: 10.14272/aepvxwvyurfhls-uhfffaoysa-n.1
title: methyl 4-[4-(4-methoxycarbonylphenyl)-2,5-dimethylphenyl]benzoate
title: InChI=1S/C24H22O4/c1-15-13-22(18-7-11-20(12-8-18)24(26)28-4)16(2)14-21(15)17-5-9-19(10-6-17)23(25)27-3/h5-14H,1-4H3

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

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2992, 2945, 2927, 2874, 2844, 1924, 1833, 1803, 1714, 1608, 1562, 1543, 1519, 1493, 1466, 1458, 1436, 1411, 1387, 1366, 1322, 1278, 1193, 1106, 1044, 1016, 990, 970, 922, 857, 829, 785, 758, 711, 703, 652, 626, 517, 507, 482, 466, 432, 392 cm–1.
DOI: 10.14272/ciscvxhqtkkfnj-uhfffaoysa-n.1
title: 1,3-bis(4-propan-2-ylphenyl)thiourea
title: InChI=1S/C19H24N2S/c1-13(2)15-5-9-17(10-6-15)20-19(22)21-18-11-7-16(8-12-18)14(3)4/h5-14H,1-4H3,(H2,20,21,22)

description: This dataset contains experimental data from a sample (N,N'-bis(4-propan-2-ylphenyl)carbamimidothioic acid, InChI=1S/C19H24N2S/c1-13(2)15-5-9-17(10-6-15)20-19(22)21-18-11-7-16(8-12-18)14(3)4/h5-14H,1-4H3,(H2,20,21,22)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/ciscvxhqtkkfnj-uhfffaoysa-n/ir
title: IR (N,N'-bis(4-propan-2-ylphenyl)carbamimidothioic acid, InChI=1S/C19H24N2S/c1-13(2)15-5-9-17(10-6-15)20-19(22)21-18-11-7-16(8-12-18)14(3)4/h5-14H,1-4H3,(H2,20,21,22))

description: dataset for IR
      
      IR (ATR, ṽ) = 3364, 3220, 3031, 2955, 2928, 2895, 2866, 1604, 1578, 1513, 1462, 1412, 1381, 1361, 1347, 1300, 1282, 1258, 1225, 1191, 1173, 1142, 1098, 1054, 1016, 953, 926, 892, 860, 844, 826, 775, 748, 734, 715, 691, 650, 630, 612, 577, 544, 493, 446, 405, 385 cm–1.
DOI: 10.14272/dmuohkujvvfwet-uhfffaoysa-n.1
title: C16H17BrO2S
title: InChI=1S/C16H17BrO2S/c1-5-19-16(18)15-8-13(11(4)20-15)12-6-10(3)14(17)7-9(12)2/h6-8H,5H2,1-4H3

description: This dataset contains experimental data from a sample (ethyl 4-(4-bromo-2,5-dimethylphenyl)-5-methylthiophene-2-carboxylate, InChI=1S/C16H17BrO2S/c1-5-19-16(18)15-8-13(11(4)20-15)12-6-10(3)14(17)7-9(12)2/h6-8H,5H2,1-4H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/frsymvpvqracfx-uhfffaoysa-n.1
title: C23H23NO7
title: InChI=1S/C23H23NO7/c1-12-10-16(28-2)20-15(25)11-23(22(27)29-3,17-8-9-18(26)30-17)31-21(20)19(12)13-4-6-14(24)7-5-13/h4-7,10,17H,8-9,11,24H2,1-3H3

description: This dataset contains experimental data from a sample (InChI=1S/C23H23NO7/c1-12-10-16(28-2)20-15(25)11-23(22(27)29-3,17-8-9-18(26)30-17)31-21(20)19(12)13-4-6-14(24)7-5-13/h4-7,10,17H,8-9,11,24H2,1-3H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/frsymvpvqracfx-uhfffaoysa-n/ir
title: IR (, InChI=1S/C23H23NO7/c1-12-10-16(28-2)20-15(25)11-23(22(27)29-3,17-8-9-18(26)30-17)31-21(20)19(12)13-4-6-14(24)7-5-13/h4-7,10,17H,8-9,11,24H2,1-3H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3452, 3373, 2924, 2364, 1766, 1723, 1677, 1599, 1565, 1519, 1473, 1455, 1394, 1344, 1298, 1283, 1256, 1210, 1198, 1177, 1125, 1096, 1050, 1028, 1011, 959, 905, 836, 800, 782, 734, 697, 669, 637, 588, 574, 554, 538, 528, 516, 448, 436, 421, 407, 398, 385 cm–1.
DOI: 10.14272/fwcfzcxasguomh-uhfffaoysa-n.1
title: C21H22O4Si
title: InChI=1S/C21H22O4Si/c1-24-20(22)16-8-6-15(7-9-16)19-11-10-18(21(23)25-2)14-17(19)12-13-26(3,4)5/h6-11,14H,1-5H3

description: This dataset contains experimental data from a sample (methyl 4-(4-methoxycarbonylphenyl)-3-(2-trimethylsilylethynyl)benzoate, InChI=1S/C21H22O4Si/c1-24-20(22)16-8-6-15(7-9-16)19-11-10-18(21(23)25-2)14-17(19)12-13-26(3,4)5/h6-11,14H,1-5H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/fwcfzcxasguomh-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (methyl 4-(4-methoxycarbonylphenyl)-3-(2-trimethylsilylethynyl)benzoate)
title: InChI=1S/C21H22O4Si/c1-24-20(22)16-8-6-15(7-9-16)19-11-10-18(21(23)25-2)14-17(19)12-13-26(3,4)5/h6-11,14H,1-5H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3421, 3023, 2995, 2949, 2928, 2897, 2851, 2156, 2109, 1938, 1715, 1605, 1572, 1553, 1517, 1453, 1432, 1414, 1387, 1278, 1242, 1196, 1186, 1103, 1023, 1004, 986, 977, 914, 840, 795, 781, 756, 734, 701, 681, 649, 633, 611, 596, 572, 535, 518, 476, 466, 399, 382 cm–1.
DOI: 10.14272/kinxqwuyakygkt-uhfffaoysa-n.1
title: C21H22O5
title: InChI=1S/C21H22O5/c1-4-9-25-17-12-19(24-3)18-11-15(21(22)26-20(18)13-17)10-14-5-7-16(23-2)8-6-14/h5-8,11-13H,4,9-10H2,1-3H3

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

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2962, 2929, 2876, 1711, 1609, 1577, 1511, 1499, 1465, 1452, 1425, 1363, 1300, 1242, 1201, 1170, 1153, 1108, 1048, 1023, 999, 949, 897, 880, 839, 830, 819, 807, 759, 724, 694, 660, 643, 567, 545, 517, 487, 465, 436, 387 cm–1.
DOI: 10.14272/ksrdtsabqynymp-oomlufptsa-n.1
title: C6H11N3O5
title: InChI=1S/C6H11N3O5/c7-9-8-6-5(13)4(12)3(11)2(1-10)14-6/h2-6,10-13H,1H2/t2?,3-,4+,5?,6-/m1/s1

description: This dataset contains experimental data from a sample (InChI=1S/C6H11N3O5/c7-9-8-6-5(13)4(12)3(11)2(1-10)14-6/h2-6,10-13H,1H2/t2?,3-,4+,5?,6-/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/ksrdtsabqynymp-oomlufptsa-n/ir
title: IR (, InChI=1S/C6H11N3O5/c7-9-8-6-5(13)4(12)3(11)2(1-10)14-6/h2-6,10-13H,1H2/t2?,3-,4+,5?,6-/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 3361, 3293, 2908, 2255, 2115, 1653, 1363, 1254, 1101, 1047, 1023, 993, 942, 824, 762, 602 cm–1.