cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/snnjoyyrzhokfm-prijsrmqsa-n.1
title: C23H34O3
title: InChI=1S/C23H34O3/c1-22-9-7-16(24)12-15(22)3-4-17-19-6-5-18(14-11-21(25)26-13-14)23(19,2)10-8-20(17)22/h11,15-20,24H,3-10,12-13H2,1-2H3/t15-,16-,17-,18?,19-,20-,22-,23+/m0/s1

description: This dataset contains experimental data from a sample (3-[(3S,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, InChI=1S/C23H34O3/c1-22-9-7-16(24)12-15(22)3-4-17-19-6-5-18(14-11-21(25)26-13-14)23(19,2)10-8-20(17)22/h11,15-20,24H,3-10,12-13H2,1-2H3/t15-,16-,17-,18?,19-,20-,22-,23+/m0/s1). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/vjulixkpybixjw-xgiaqdqtsa-n.1
title: C28H35NO
title: InChI=1S/C28H35NO/c1-27-12-9-22(30)16-21(27)5-6-23-25-8-7-24(28(25,2)13-10-26(23)27)19-4-3-18-11-14-29-17-20(18)15-19/h3-4,7,11,14-15,17,21-23,25-26,30H,5-6,8-10,12-13,16H2,1-2H3/t21-,22-,23-,25-,26-,27-,28+/m0/s1

description: This dataset contains experimental data from a sample ((3S,5S,8R,9S,10S,13S,14S)-17-isoquinolin-7-yl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol, InChI=1S/C28H35NO/c1-27-12-9-22(30)16-21(27)5-6-23-25-8-7-24(28(25,2)13-10-26(23)27)19-4-3-18-11-14-29-17-20(18)15-19/h3-4,7,11,14-15,17,21-23,25-26,30H,5-6,8-10,12-13,16H2,1-2H3/t21-,22-,23-,25-,26-,27-,28+/m0/s1). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/vjulixkpybixjw-xgiaqdqtsa-n/ir
title: infrared absorption spectroscopy (IR) ((3S,5S,8R,9S,10S,13S,14S)-17-isoquinolin-7-yl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol)
title: InChI=1S/C28H35NO/c1-27-12-9-22(30)16-21(27)5-6-23-25-8-7-24(28(25,2)13-10-26(23)27)19-4-3-18-11-14-29-17-20(18)15-19/h3-4,7,11,14-15,17,21-23,25-26,30H,5-6,8-10,12-13,16H2,1-2H3/t21-,22-,23-,25-,26-,27-,28+/m0/s1

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3339, 3298, 3030, 2949, 2924, 2851, 2361, 1731, 1667, 1625, 1598, 1551, 1504, 1451, 1439, 1418, 1374, 1353, 1320, 1296, 1271, 1261, 1245, 1225, 1205, 1173, 1149, 1137, 1116, 1102, 1079, 1050, 1033, 976, 949, 931, 901, 878, 847, 830, 815, 792, 722, 694, 679, 652, 623, 606, 589, 540, 517, 494, 473, 448, 436, 419, 397, 387 cm–1.
DOI: 10.14272/wkmixrmzysdalb-uhfffaoysa-n.1
title: 4-tributylstannylbenzoic acid
title: InChI=1S/C7H5O2.3C4H9.Sn/c8-7(9)6-4-2-1-3-5-6;3*1-3-4-2;/h2-5H,(H,8,9);3*1,3-4H2,2H3;

description: This dataset contains experimental data from a sample (4-tributylstannylbenzoic acid, InChI=1S/C7H5O2.3C4H9.Sn/c8-7(9)6-4-2-1-3-5-6;3*1-3-4-2;/h2-5H,(H,8,9);3*1,3-4H2,2H3;).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/wkmixrmzysdalb-uhfffaoysa-n/ir
title: IR (4-tributylstannylbenzoic acid, InChI=1S/C7H5O2.3C4H9.Sn/c8-7(9)6-4-2-1-3-5-6;3*1-3-4-2;/h2-5H,(H,8,9);3*1,3-4H2,2H3;)

description: dataset for IR
      
      IR (ATR, ṽ) = 3067, 3014, 2955, 2922, 2871, 2853, 2730, 2671, 2359, 2337, 1931, 1815, 1782, 1737, 1725, 1711, 1690, 1658, 1641, 1621, 1590, 1550, 1535, 1513, 1491, 1462, 1456, 1415, 1376, 1354, 1334, 1303, 1291, 1264, 1248, 1230, 1217, 1183, 1154, 1126, 1073, 1062, 1046, 1017, 1001, 960, 938, 867, 844, 805, 759, 691, 683, 667, 595, 540, 510, 483, 461, 453, 410 cm–1.
DOI: 10.14272/bvicveikbnvroi-uhfffaoysa-n.1
title: C48H29O4P
title: InChI=1S/C48H29O4P/c49-53(50)51-47-43(41-25-29-13-1-5-17-33(29)37-21-9-11-23-39(37)41)27-31-15-3-7-19-35(31)45(47)46-36-20-8-4-16-32(36)28-44(48(46)52-53)42-26-30-14-2-6-18-34(30)38-22-10-12-24-40(38)42/h1-28H,(H,49,50)

description: This dataset contains experimental data from a sample (13-hydroxy-10,16-di(phenanthren-9-yl)-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide, InChI=1S/C48H29O4P/c49-53(50)51-47-43(41-25-29-13-1-5-17-33(29)37-21-9-11-23-39(37)41)27-31-15-3-7-19-35(31)45(47)46-36-20-8-4-16-32(36)28-44(48(46)52-53)42-26-30-14-2-6-18-34(30)38-22-10-12-24-40(38)42/h1-28H,(H,49,50)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/bvicveikbnvroi-uhfffaoysa-n/ir
title: IR (13-hydroxy-10,16-di(phenanthren-9-yl)-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide, InChI=1S/C48H29O4P/c49-53(50)51-47-43(41-25-29-13-1-5-17-33(29)37-21-9-11-23-39(37)41)27-31-15-3-7-19-35(31)45(47)46-36-20-8-4-16-32(36)28-44(48(46)52-53)42-26-30-14-2-6-18-34(30)38-22-10-12-24-40(38)42/h1-28H,(H,49,50))

description: dataset for IR
      
      IR (ATR, ṽ) = 3628, 3053, 2364, 1732, 1697, 1596, 1490, 1446, 1415, 1374, 1239, 1201, 1149, 1091, 1041, 967, 948, 897, 847, 836, 813, 765, 745, 724, 696, 671, 640, 613, 581, 562, 514, 493, 469 cm–1.
DOI: 10.14272/ctzvekyvqdcreh-uhfffaoysa-n.1
title: 2-(1-benzyltriazol-4-yl)-6-methylpyridine
title: InChI=1S/C15H14N4/c1-12-6-5-9-14(16-12)15-11-19(18-17-15)10-13-7-3-2-4-8-13/h2-9,11H,10H2,1H3

description: This dataset contains experimental data from a sample (2-(1-benzyltriazol-4-yl)-6-methylpyridine, InChI=1S/C15H14N4/c1-12-6-5-9-14(16-12)15-11-19(18-17-15)10-13-7-3-2-4-8-13/h2-9,11H,10H2,1H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/jiajbazubptcao-uhfffaoysa-n.1
title: 3-azidopyridine
title: InChI=1S/C5H4N4/c6-9-8-5-2-1-3-7-4-5/h1-4H

description: This dataset contains experimental data from a sample (3-azidopyridine, InChI=1S/C5H4N4/c6-9-8-5-2-1-3-7-4-5/h1-4H).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/jiajbazubptcao-uhfffaoysa-n/ir
title: IR (3-azidopyridine, InChI=1S/C5H4N4/c6-9-8-5-2-1-3-7-4-5/h1-4H)

description: dataset for IR
      
      IR (ATR, ṽ) = 3226, 3057, 3032, 2928, 2855, 2429, 2272, 2174, 2129, 2090, 2019, 2011, 1998, 1984, 1955, 1882, 1754, 1739, 1727, 1692, 1676, 1664, 1641, 1629, 1601, 1572, 1552, 1529, 1507, 1474, 1450, 1421, 1380, 1362, 1332, 1301, 1287, 1238, 1189, 1160, 1140, 1124, 1099, 1068, 1038, 1020, 956, 936, 909, 901, 893, 871, 850, 828, 797, 777, 701, 681, 616, 597, 575, 557, 546, 530, 506, 469, 445, 426, 406 cm–1.
DOI: 10.14272/khmjzqfkdobods-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (5-(2-bromophenyl)-1-trityltetrazole)
title: InChI=1S/C26H19BrN4/c27-24-19-11-10-18-23(24)25-28-29-30-31(25)26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3112, 3085, 3061, 3026, 2971, 2924, 2853, 2791, 2357, 2331, 2216, 2180, 2021, 1998, 1958, 1927, 1907, 1876, 1813, 1780, 1754, 1737, 1727, 1711, 1690, 1680, 1664, 1639, 1603, 1566, 1550, 1525, 1489, 1458, 1444, 1421, 1378, 1368, 1354, 1323, 1276, 1264, 1228, 1193, 1158, 1117, 1085, 1058, 1032, 1026, 999, 948, 932, 905, 873, 844, 779, 763, 742, 720, 697, 673, 646, 634, 620, 546, 522, 512, 495, 479, 453, 412 cm–1.
DOI: 10.14272/ndosnrlqnyyvkv-uhfffaoysa-n.1
title: 1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]ethanone
title: InChI=1S/C13H13NO3S/c1-10-3-5-13(6-4-10)18(16,17)14-8-7-12(9-14)11(2)15/h3-9H,1-2H3

description: This dataset contains experimental data from a sample (1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]ethanone, InChI=1S/C13H13NO3S/c1-10-3-5-13(6-4-10)18(16,17)14-8-7-12(9-14)11(2)15/h3-9H,1-2H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/ndosnrlqnyyvkv-uhfffaoysa-n/ir
title: IR (1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]ethanone, InChI=1S/C13H13NO3S/c1-10-3-5-13(6-4-10)18(16,17)14-8-7-12(9-14)11(2)15/h3-9H,1-2H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3115, 3065, 3010, 2979, 2905, 2849, 2820, 2751, 2684, 2615, 2543, 2361, 1846, 1720, 1599, 1582, 1497, 1419, 1343, 1333, 1278, 1251, 1210, 1125, 1106, 1065, 958, 926, 901, 882, 860, 847, 795, 764, 718, 620, 592, 574, 561, 433, 426, 407 cm–1.
DOI: 10.14272/okcsjqdcwacjsg-uhfffaoysa-n.1
title: C16H16O7
title: InChI=1S/C15H16O5.CO2/c1-7-5-9(17)12-10(6-7)20-15(2)11(18)4-3-8(16)13(15)14(12)19;2-1-3/h5-6,11,16-18H,3-4H2,1-2H3;

description: This dataset contains experimental data from a sample (InChI=1S/C15H16O5.CO2/c1-7-5-9(17)12-10(6-7)20-15(2)11(18)4-3-8(16)13(15)14(12)19;2-1-3/h5-6,11,16-18H,3-4H2,1-2H3;).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/okcsjqdcwacjsg-uhfffaoysa-n/ir
title: IR (, InChI=1S/C15H16O5.CO2/c1-7-5-9(17)12-10(6-7)20-15(2)11(18)4-3-8(16)13(15)14(12)19;2-1-3/h5-6,11,16-18H,3-4H2,1-2H3;)

description: dataset for IR
DOI: 10.14272/oxwiewfmrvjgny-uhfffaoysa-n.1
title: 1-(4-methylphenyl)sulfonylpyrrole
title: InChI=1S/C11H11NO2S/c1-10-4-6-11(7-5-10)15(13,14)12-8-2-3-9-12/h2-9H,1H3

description: This dataset contains experimental data from a sample (1-(4-methylphenyl)sulfonylpyrrole, InChI=1S/C11H11NO2S/c1-10-4-6-11(7-5-10)15(13,14)12-8-2-3-9-12/h2-9H,1H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/oxwiewfmrvjgny-uhfffaoysa-n/ir
title: IR (1-(4-methylphenyl)sulfonylpyrrole, InChI=1S/C11H11NO2S/c1-10-4-6-11(7-5-10)15(13,14)12-8-2-3-9-12/h2-9H,1H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3139, 3111, 3085, 3050, 3027, 2922, 2364, 1921, 1755, 1594, 1536, 1492, 1455, 1401, 1358, 1307, 1289, 1259, 1181, 1167, 1091, 1078, 1057, 1033, 1016, 933, 868, 812, 798, 752, 717, 703, 669, 596, 585, 537, 494, 482 cm–1.
DOI: 10.14272/snnjoyyrzhokfm-prijsrmqsa-n/ir
title: infrared absorption spectroscopy (IR) (3-[(3S,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one)
title: InChI=1S/C23H34O3/c1-22-9-7-16(24)12-15(22)3-4-17-19-6-5-18(14-11-21(25)26-13-14)23(19,2)10-8-20(17)22/h11,15-20,24H,3-10,12-13H2,1-2H3/t15-,16-,17-,18?,19-,20-,22-,23+/m0/s1

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3445, 3102, 2925, 2910, 2839, 2363, 1802, 1781, 1730, 1619, 1449, 1381, 1349, 1337, 1298, 1261, 1194, 1186, 1164, 1135, 1106, 1079, 1062, 1040, 1010, 977, 953, 936, 899, 864, 796, 739, 707, 666, 589, 555, 547, 507, 470, 449, 418, 405, 398, 385, 375 cm–1.
DOI: 10.14272/tzfjadfqebasqu-uhfffaoysa-n.1
title: 3-amino-4-bromobenzoic acid
title: InChI=1S/C7H6BrNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11)

description: This dataset contains experimental data from a sample (3-amino-4-bromobenzoic acid, InChI=1S/C7H6BrNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/tzfjadfqebasqu-uhfffaoysa-n/ir
title: IR (3-amino-4-bromobenzoic acid, InChI=1S/C7H6BrNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11))

description: dataset for IR
      
      IR (ATR, ṽ) = 3417, 3325, 3097, 2961, 2840, 2660, 2531, 2363, 2340, 1674, 1623, 1596, 1571, 1483, 1436, 1417, 1302, 1275, 1254, 1149, 1118, 1085, 1018, 955, 928, 880, 827, 772, 758, 705, 669, 647, 572, 545, 492, 429, 411, 387 cm–1.
DOI: 10.14272/ydewuepgckzbmq-kzmmiwitsa-n.1
title: C31H49FO2Si
title: InChI=1S/C31H49FO2Si/c1-28(2,3)35(6,7)34-24-14-17-29(4)22(20-24)10-13-25-26(29)15-18-30(5)27(25)16-19-31(30,33)21-8-11-23(32)12-9-21/h8-9,11-12,22,24-27,33H,10,13-20H2,1-7H3/t22-,24-,25+,26-,27-,29-,30-,31+/m0/s1

description: This dataset contains experimental data from a sample ((3S,5S,8R,9S,10S,13S,14S,17S)-3-[tert-butyl(dimethyl)silyl]oxy-17-(4-fluorophenyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol, InChI=1S/C31H49FO2Si/c1-28(2,3)35(6,7)34-24-14-17-29(4)22(20-24)10-13-25-26(29)15-18-30(5)27(25)16-19-31(30,33)21-8-11-23(32)12-9-21/h8-9,11-12,22,24-27,33H,10,13-20H2,1-7H3/t22-,24-,25+,26-,27-,29-,30-,31+/m0/s1). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/ydewuepgckzbmq-kzmmiwitsa-n/ir
title: infrared absorption spectroscopy (IR) ((3S,5S,8R,9S,10S,13S,14S,17S)-3-[tert-butyl(dimethyl)silyl]oxy-17-(4-fluorophenyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol)
title: InChI=1S/C31H49FO2Si/c1-28(2,3)35(6,7)34-24-14-17-29(4)22(20-24)10-13-25-26(29)15-18-30(5)27(25)16-19-31(30,33)21-8-11-23(32)12-9-21/h8-9,11-12,22,24-27,33H,10,13-20H2,1-7H3/t22-,24-,25+,26-,27-,29-,30-,31+/m0/s1

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3436, 2926, 2855, 2371, 2361, 2343, 2329, 2249, 2219, 2168, 2147, 2068, 2021, 1998, 1984, 1964, 1864, 1815, 1784, 1754, 1739, 1727, 1711, 1692, 1678, 1660, 1643, 1603, 1552, 1527, 1509, 1468, 1462, 1450, 1405, 1378, 1360, 1305, 1248, 1225, 1160, 1134, 1091, 1075, 1003, 958, 940, 914, 891, 871, 850, 832, 816, 795, 773, 669, 640, 616, 595, 571, 544, 528, 504, 487, 479, 465, 442, 426, 416, 406 cm–1.
DOI: 10.14272/bpbrbruyqkqjix-uhfffaoysa-n.1
title: diethyl 2,5-bis(prop-2-enoxy)benzene-1,4-dicarboxylate
title: InChI=1S/C18H22O6/c1-5-9-23-15-11-14(18(20)22-8-4)16(24-10-6-2)12-13(15)17(19)21-7-3/h5-6,11-12H,1-2,7-10H2,3-4H3

description: This dataset contains experimental data from a sample (diethyl 2,5-bis(prop-2-enoxy)benzene-1,4-dicarboxylate, InChI=1S/C18H22O6/c1-5-9-23-15-11-14(18(20)22-8-4)16(24-10-6-2)12-13(15)17(19)21-7-3/h5-6,11-12H,1-2,7-10H2,3-4H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/bpbrbruyqkqjix-uhfffaoysa-n/ir
title: IR (diethyl 2,5-bis(prop-2-enoxy)benzene-1,4-dicarboxylate, InChI=1S/C18H22O6/c1-5-9-23-15-11-14(18(20)22-8-4)16(24-10-6-2)12-13(15)17(19)21-7-3/h5-6,11-12H,1-2,7-10H2,3-4H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3068, 2996, 2980, 2929, 2902, 2864, 2361, 2342, 1700, 1650, 1506, 1458, 1414, 1383, 1295, 1225, 1196, 1099, 1023, 993, 933, 891, 857, 803, 782, 669, 613, 585, 540, 462, 405, 397, 385 cm–1.
DOI: 10.14272/ciscvxhqtkkfnj-uhfffaoysa-n.2
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.1
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) = 3214, 3038, 3019, 2997, 2876, 2815, 2360, 1915, 1790, 1741, 1602, 1541, 1533, 1504, 1415, 1395, 1351, 1332, 1290, 1255, 1234, 1207, 1150, 1088, 1045, 1014, 924, 843, 812, 764, 718, 671, 635, 623, 568, 541, 507, 483, 442 cm–1.
DOI: 10.14272/ctzvekyvqdcreh-uhfffaoysa-n/ir
title: IR (2-(1-benzyltriazol-4-yl)-6-methylpyridine, InChI=1S/C15H14N4/c1-12-6-5-9-14(16-12)15-11-19(18-17-15)10-13-7-3-2-4-8-13/h2-9,11H,10H2,1H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3140, 3033, 2999, 2958, 2922, 2363, 2342, 1731, 1601, 1575, 1548, 1494, 1463, 1456, 1442, 1366, 1343, 1320, 1298, 1281, 1245, 1227, 1208, 1200, 1177, 1163, 1136, 1094, 1071, 1043, 1030, 1017, 994, 939, 912, 851, 819, 788, 742, 718, 708, 693, 673, 656, 618, 591, 571, 552, 489, 467, 388 cm–1.
DOI: 10.14272/fmpvmovkhqabrg-uhfffaoysa-n.1
title: C18H17BrN2O
title: InChI=1S/C18H17BrN2O/c19-12-6-7-13-22-18-17(14-8-2-1-3-9-14)20-15-10-4-5-11-16(15)21-18/h1-5,8-11H,6-7,12-13H2

description: This dataset contains experimental data from a sample (InChI=1S/C18H17BrN2O/c19-12-6-7-13-22-18-17(14-8-2-1-3-9-14)20-15-10-4-5-11-16(15)21-18/h1-5,8-11H,6-7,12-13H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/fmpvmovkhqabrg-uhfffaoysa-n/ir
title: IR (, InChI=1S/C18H17BrN2O/c19-12-6-7-13-22-18-17(14-8-2-1-3-9-14)20-15-10-4-5-11-16(15)21-18/h1-5,8-11H,6-7,12-13H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 3060, 2955, 2927, 2849, 2361, 2342, 1570, 1558, 1490, 1468, 1443, 1414, 1383, 1357, 1326, 1307, 1293, 1251, 1210, 1184, 1140, 1123, 1075, 1061, 1038, 1018, 1013, 969, 949, 935, 924, 867, 840, 805, 758, 735, 693, 683, 649, 629, 615, 603, 562, 530, 441, 419, 405, 385 cm–1.
DOI: 10.14272/klbucjoxlxylog-uhfffaoysa-n.1
title: 1-methoxy-2,6-dimethylpyridin-1-ium
title: InChI=1S/C8H12NO/c1-7-5-4-6-8(2)9(7)10-3/h4-6H,1-3H3/q+1

description: This dataset contains experimental data from a sample (1-methoxy-2,6-dimethylpyridin-1-ium, InChI=1S/C8H12NO/c1-7-5-4-6-8(2)9(7)10-3/h4-6H,1-3H3/q+1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/klbucjoxlxylog-uhfffaoysa-n/ir
title: IR (1-methoxy-2,6-dimethylpyridin-1-ium, InChI=1S/C8H12NO/c1-7-5-4-6-8(2)9(7)10-3/h4-6H,1-3H3/q+1)

description: dataset for IR
      
      IR (ATR, ṽ) = 3081, 3022, 2993, 2971, 2944, 2369, 2343, 2322, 2019, 1739, 1727, 1715, 1692, 1680, 1660, 1641, 1621, 1595, 1550, 1531, 1501, 1474, 1470, 1446, 1411, 1387, 1352, 1287, 1246, 1230, 1217, 1185, 1170, 1093, 1048, 1032, 944, 814, 720, 671, 565, 520, 498, 445, 428, 416 cm–1.
DOI: 10.14272/lfpugenpuaersg-uhfffaoysa-n.1
title: 2,6-dimethyl-4-nitro-1-oxidopyridin-1-ium
title: InChI=1S/C7H8N2O3/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4H,1-2H3

description: This dataset contains experimental data from a sample (2,6-dimethyl-4-nitro-1-oxidopyridin-1-ium, InChI=1S/C7H8N2O3/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4H,1-2H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/lfpugenpuaersg-uhfffaoysa-n/ir
title: IR (2,6-dimethyl-4-nitro-1-oxidopyridin-1-ium, InChI=1S/C7H8N2O3/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4H,1-2H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3071, 3057, 3008, 2969, 2918, 2816, 2528, 2380, 2339, 2019, 1741, 1725, 1711, 1692, 1674, 1643, 1613, 1588, 1515, 1460, 1454, 1436, 1401, 1378, 1368, 1334, 1270, 1207, 1105, 1038, 1001, 958, 942, 924, 909, 818, 746, 559, 540, 487, 440, 414 cm–1.
DOI: 10.14272/pilkxvqlvgaejt-fbmgvbcbsa-n.1
title: C19H21NO2S2
title: InChI=1S/C19H21NO2S2/c21-24(22,19-13-7-2-8-14-19)20-15-9-3-6-12-18(16-20)23-17-10-4-1-5-11-17/h1-2,4-5,7-8,10-11,13-14,16H,3,6,9,12,15H2/b18-16+

description: This dataset contains experimental data from a sample (InChI=1S/C19H21NO2S2/c21-24(22,19-13-7-2-8-14-19)20-15-9-3-6-12-18(16-20)23-17-10-4-1-5-11-17/h1-2,4-5,7-8,10-11,13-14,16H,3,6,9,12,15H2/b18-16+).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/rqnqphzcxukdol-uhfffaoysa-n.1
title: C19H18N2O
title: InChI=1S/C19H18N2O/c22-19-16-8-6-14-3-1-13(2-4-14)5-7-15(9-10-16)18(19)17-11-12-20-21-17/h1-4,9-12,22H,5-8H2,(H,20,21)

description: This dataset contains experimental data from a sample (6-(1H-pyrazol-5-yl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol, InChI=1S/C19H18N2O/c22-19-16-8-6-14-3-1-13(2-4-14)5-7-15(9-10-16)18(19)17-11-12-20-21-17/h1-4,9-12,22H,5-8H2,(H,20,21)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/rqnqphzcxukdol-uhfffaoysa-n/ir
title: IR (6-(1H-pyrazol-5-yl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol, InChI=1S/C19H18N2O/c22-19-16-8-6-14-3-1-13(2-4-14)5-7-15(9-10-16)18(19)17-11-12-20-21-17/h1-4,9-12,22H,5-8H2,(H,20,21))

description: dataset for IR
      
      IR (ATR, ṽ) = 3400, 3293, 3157, 3118, 3034, 2975, 2955, 2928, 2914, 2891, 2847, 2359, 1747, 1718, 1601, 1568, 1524, 1497, 1477, 1421, 1378, 1347, 1322, 1286, 1272, 1242, 1184, 1149, 1132, 1091, 1064, 1009, 986, 962, 935, 926, 894, 880, 803, 796, 775, 749, 713, 690, 663, 581, 564, 544, 514, 465, 394 cm–1.
DOI: 10.14272/wisfgqookbvkpd-bxpscvrssa-n.1
title: [(3R,4S,6R)-3,4,5-tribenzoyloxy-6-bromooxan-2-yl]methyl benzoate
title: InChI=1S/C34H27BrO9/c35-30-29(44-34(39)25-19-11-4-12-20-25)28(43-33(38)24-17-9-3-10-18-24)27(42-32(37)23-15-7-2-8-16-23)26(41-30)21-40-31(36)22-13-5-1-6-14-22/h1-20,26-30H,21H2/t26?,27-,28+,29?,30+/m1/s1

description: This dataset contains experimental data from a sample ([(3R,4S,6R)-3,4,5-tribenzoyloxy-6-bromooxan-2-yl]methyl benzoate, InChI=1S/C34H27BrO9/c35-30-29(44-34(39)25-19-11-4-12-20-25)28(43-33(38)24-17-9-3-10-18-24)27(42-32(37)23-15-7-2-8-16-23)26(41-30)21-40-31(36)22-13-5-1-6-14-22/h1-20,26-30H,21H2/t26?,27-,28+,29?,30+/m1/s1). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/wisfgqookbvkpd-bxpscvrssa-n/ir
title: infrared absorption spectroscopy (IR) ([(3R,4S,6R)-3,4,5-tribenzoyloxy-6-bromooxan-2-yl]methyl benzoate)
title: InChI=1S/C34H27BrO9/c35-30-29(44-34(39)25-19-11-4-12-20-25)28(43-33(38)24-17-9-3-10-18-24)27(42-32(37)23-15-7-2-8-16-23)26(41-30)21-40-31(36)22-13-5-1-6-14-22/h1-20,26-30H,21H2/t26?,27-,28+,29?,30+/m1/s1

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3065, 3034, 3022, 3006, 2969, 2959, 2914, 2475, 2367, 2359, 2353, 2339, 2329, 2320, 2274, 2245, 2219, 2151, 2104, 2088, 2068, 2021, 1984, 1721, 1680, 1666, 1643, 1601, 1584, 1552, 1531, 1515, 1491, 1452, 1378, 1370, 1356, 1327, 1315, 1246, 1177, 1162, 1089, 1066, 1026, 1001, 936, 875, 852, 826, 801, 748, 703, 685, 618, 606, 577, 522, 500, 445, 424, 416 cm–1.
DOI: 10.14272/yiaqrnnjnmlgtp-uhfffaoysa-n.1
title: 2-(methoxymethoxy)-1-[2-(methoxymethoxy)naphthalen-1-yl]naphthalene
title: InChI=1S/C24H22O4/c1-25-15-27-21-13-11-17-7-3-5-9-19(17)23(21)24-20-10-6-4-8-18(20)12-14-22(24)28-16-26-2/h3-14H,15-16H2,1-2H3

description: This dataset contains experimental data from a sample (2-(methoxymethoxy)-1-[2-(methoxymethoxy)naphthalen-1-yl]naphthalene, InChI=1S/C24H22O4/c1-25-15-27-21-13-11-17-7-3-5-9-19(17)23(21)24-20-10-6-4-8-18(20)12-14-22(24)28-16-26-2/h3-14H,15-16H2,1-2H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/yiaqrnnjnmlgtp-uhfffaoysa-n/ir
title: IR (2-(methoxymethoxy)-1-[2-(methoxymethoxy)naphthalen-1-yl]naphthalene, InChI=1S/C24H22O4/c1-25-15-27-21-13-11-17-7-3-5-9-19(17)23(21)24-20-10-6-4-8-18(20)12-14-22(24)28-16-26-2/h3-14H,15-16H2,1-2H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 2951, 2939, 2898, 2825, 1621, 1592, 1506, 1476, 1462, 1445, 1432, 1356, 1330, 1299, 1272, 1261, 1238, 1196, 1160, 1145, 1086, 1067, 1031, 1009, 958, 919, 909, 897, 870, 822, 809, 786, 775, 765, 752, 704, 687, 666, 650, 635, 613, 574, 555, 535, 501, 475, 449, 439, 419, 409, 398, 385 cm–1.
DOI: 10.14272/znkzcvvaxnxyak-uhfffaoysa-n.1
title: C18H17BrN2O
title: InChI=1S/C18H17BrN2O/c19-12-6-7-13-21-16-11-5-4-10-15(16)20-17(18(21)22)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2

description: This dataset contains experimental data from a sample (InChI=1S/C18H17BrN2O/c19-12-6-7-13-21-16-11-5-4-10-15(16)20-17(18(21)22)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/znkzcvvaxnxyak-uhfffaoysa-n.2
title: C18H17BrN2O
title: InChI=1S/C18H17BrN2O/c19-12-6-7-13-21-16-11-5-4-10-15(16)20-17(18(21)22)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2

description: This dataset contains experimental data from a sample (InChI=1S/C18H17BrN2O/c19-12-6-7-13-21-16-11-5-4-10-15(16)20-17(18(21)22)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/znkzcvvaxnxyak-uhfffaoysa-n/ir
title: IR (, InChI=1S/C18H17BrN2O/c19-12-6-7-13-21-16-11-5-4-10-15(16)20-17(18(21)22)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 3064, 2962, 2952, 2941, 2936, 2363, 2336, 1643, 1599, 1582, 1574, 1485, 1465, 1455, 1443, 1426, 1364, 1340, 1317, 1296, 1271, 1255, 1242, 1220, 1174, 1149, 1132, 1068, 1045, 1027, 1001, 973, 942, 918, 897, 868, 840, 805, 765, 752, 732, 711, 694, 673, 640, 618, 596, 567, 552, 531, 497, 465, 450, 435, 416, 407, 384 cm–1.