cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/uombozohhcayna-uhfffaoysa-n.1
title: 5-prop-2-ynoxy-1H-indole
title: InChI=1S/C11H9NO/c1-2-7-13-10-3-4-11-9(8-10)5-6-12-11/h1,3-6,8,12H,7H2

description: This dataset contains experimental data from a sample (5-prop-2-ynoxy-1H-indole, InChI=1S/C11H9NO/c1-2-7-13-10-3-4-11-9(8-10)5-6-12-11/h1,3-6,8,12H,7H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/uombozohhcayna-uhfffaoysa-n/ir
title: IR (5-prop-2-ynoxy-1H-indole, InChI=1S/C11H9NO/c1-2-7-13-10-3-4-11-9(8-10)5-6-12-11/h1,3-6,8,12H,7H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 3431, 3258, 3140, 3114, 2925, 2876, 2361, 2340, 2113, 1867, 1711, 1659, 1615, 1581, 1503, 1475, 1449, 1412, 1367, 1341, 1323, 1285, 1266, 1247, 1215, 1152, 1122, 1085, 1065, 1026, 1020, 938, 915, 894, 851, 829, 803, 792, 758, 739, 720, 691, 645, 603, 584, 497, 477, 449, 424 cm–1.
DOI: 10.14272/uumjkzvrnpvqam-uhfffaoysa-n.1
title: 1,3,5-triiodo-2,4,6-trimethylbenzene
title: InChI=1S/C9H9I3/c1-4-7(10)5(2)9(12)6(3)8(4)11/h1-3H3

description: This dataset contains experimental data from a sample (1,3,5-triiodo-2,4,6-trimethylbenzene, InChI=1S/C9H9I3/c1-4-7(10)5(2)9(12)6(3)8(4)11/h1-3H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/vtudatosqgywml-uhfffaoysa-n.1
title: 5-bromo-1H-pyrimidin-2-one
title: InChI=1S/C4H3BrN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)

description: This dataset contains experimental data from a sample (5-bromo-1H-pyrimidin-2-one, InChI=1S/C4H3BrN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/vtudatosqgywml-uhfffaoysa-n/ir
title: IR (5-bromo-1H-pyrimidin-2-one, InChI=1S/C4H3BrN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8))

description: dataset for IR
      
      IR (ATR, ṽ) = 3207, 3187, 3112, 3072, 3041, 2969, 2925, 2885, 2792, 2706, 2650, 2529, 2495, 2475, 2425, 2368, 1985, 1945, 1856, 1812, 1775, 1725, 1689, 1582, 1507, 1483, 1353, 1288, 1208, 1163, 1132, 1020, 992, 975, 867, 793, 754, 656, 646, 595, 575, 510, 497, 394 cm–1.
DOI: 10.14272/xejvsrgeplgpfq-uhfffaoysa-n.1
title: C28H28BP
title: InChI=1S/C28H25P.BH3/c1-3-7-26(8-4-1)29(27-9-5-2-6-10-27)28-21-24-16-15-22-11-13-23(14-12-22)17-19-25(28)20-18-24;/h1-14,18,20-21H,15-17,19H2;1H3

description: This dataset contains experimental data from a sample (InChI=1S/C28H25P.BH3/c1-3-7-26(8-4-1)29(27-9-5-2-6-10-27)28-21-24-16-15-22-11-13-23(14-12-22)17-19-25(28)20-18-24;/h1-14,18,20-21H,15-17,19H2;1H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/xejvsrgeplgpfq-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C28H25P.BH3/c1-3-7-26(8-4-1)29(27-9-5-2-6-10-27)28-21-24-16-15-22-11-13-23(14-12-22)17-19-25(28)20-18-24;/h1-14,18,20-21H,15-17,19H2;1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3052, 3036, 3008, 2987, 2955, 2928, 2855, 2802, 2396, 2359, 2284, 2257, 1896, 1745, 1580, 1550, 1499, 1480, 1468, 1454, 1436, 1411, 1391, 1311, 1234, 1181, 1148, 1138, 1130, 1103, 1095, 1068, 1028, 999, 960, 938, 916, 901, 871, 848, 812, 791, 763, 742, 718, 691, 638, 620, 604, 575, 555, 538, 502, 491, 483, 449, 420 cm–1.
DOI: 10.14272/gcrybhutysznkj-uhfffaoysa-n.3
title: C18H16
title: InChI=1S/C18H16/c1-2-17-13-16-8-7-14-3-5-15(6-4-14)9-11-18(17)12-10-16/h1,3-6,10,12-13H,7-9,11H2

description: This dataset contains experimental data from a sample (5-ethynyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene, InChI=1S/C18H16/c1-2-17-13-16-8-7-14-3-5-15(6-4-14)9-11-18(17)12-10-16/h1,3-6,10,12-13H,7-9,11H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/gcrybhutysznkj-uhfffaoysa-n/ir.2
title: IR (5-ethynyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene, InChI=1S/C18H16/c1-2-17-13-16-8-7-14-3-5-15(6-4-14)9-11-18(17)12-10-16/h1,3-6,10,12-13H,7-9,11H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 3735, 3303, 3007, 2949, 2922, 2888, 2850, 2363, 2342, 2101, 1898, 1594, 1497, 1482, 1449, 1432, 1408, 1319, 1281, 1245, 1204, 1184, 1152, 1108, 1088, 1017, 955, 941, 907, 874, 864, 839, 822, 805, 796, 741, 717, 686, 670, 640, 605, 586, 550, 526, 507, 492, 459, 445, 436, 411, 395, 384 cm–1.
DOI: 10.14272/hjezyhyuflwlll-rbuovpeysa-n.1
title: C19H24O8
title: InChI=1S/C19H24O8/c1-11-16(25-12(2)20)17(26-13(3)21)18(27-14(4)22)19(24-11)23-10-15-8-6-5-7-9-15/h5-9,11,16-19H,10H2,1-4H3/t11-,16-,17+,18+,19?/m0/s1

description: This dataset contains experimental data from a sample (InChI=1S/C19H24O8/c1-11-16(25-12(2)20)17(26-13(3)21)18(27-14(4)22)19(24-11)23-10-15-8-6-5-7-9-15/h5-9,11,16-19H,10H2,1-4H3/t11-,16-,17+,18+,19?/m0/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/hjezyhyuflwlll-rbuovpeysa-n/ir
title: IR (, InChI=1S/C19H24O8/c1-11-16(25-12(2)20)17(26-13(3)21)18(27-14(4)22)19(24-11)23-10-15-8-6-5-7-9-15/h5-9,11,16-19H,10H2,1-4H3/t11-,16-,17+,18+,19?/m0/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 2990, 2912, 1741, 1684, 1499, 1458, 1431, 1370, 1319, 1288, 1242, 1214, 1176, 1154, 1133, 1086, 1057, 1041, 1020, 980, 948, 916, 898, 885, 841, 800, 741, 700, 667, 633, 599, 567, 518, 501, 493, 466, 425, 409 cm–1.
DOI: 10.14272/intxjwulroqssk-cbqiqwopsa-n/ir
title: IR (, InChI=1S/C23H32FNO4/c1-13(2)17-9-8-14(3)10-20(17)29-22(26)18-12-19(23(27)28-4)25-21(18)15-6-5-7-16(24)11-15/h5-7,11,13-14,17-21,25H,8-10,12H2,1-4H3/t14-,17+,18+,19+,20-,21+/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 2941, 2924, 2866, 2363, 1732, 1706, 1616, 1589, 1490, 1439, 1387, 1373, 1346, 1329, 1315, 1296, 1279, 1249, 1225, 1201, 1166, 1153, 1108, 1081, 1035, 1004, 983, 950, 924, 895, 880, 863, 844, 803, 790, 764, 724, 686, 649, 629, 594, 547, 521, 513, 470, 419, 404, 398, 384 cm–1.
DOI: 10.14272/isprazfrfdrhkk-yopyoqpvsa-n.1
title: C52H28N4Zn
title: InChI=1S/C52H28N4.Zn/c1-5-33-9-17-37(18-10-33)49-41-25-27-43(53-41)50(38-19-11-34(6-2)12-20-38)45-29-31-47(55-45)52(40-23-15-36(8-4)16-24-40)48-32-30-46(56-48)51(44-28-26-42(49)54-44)39-21-13-35(7-3)14-22-39;/h1-4,9-32H;/q-2;+2/b49-41-,49-42-,50-43-,50-45-,51-44-,51-46-,52-47-,52-48-;

description: This dataset contains experimental data from a sample (InChI=1S/C52H28N4.Zn/c1-5-33-9-17-37(18-10-33)49-41-25-27-43(53-41)50(38-19-11-34(6-2)12-20-38)45-29-31-47(55-45)52(40-23-15-36(8-4)16-24-40)48-32-30-46(56-48)51(44-28-26-42(49)54-44)39-21-13-35(7-3)14-22-39;/h1-4,9-32H;/q-2;+2/b49-41-,49-42-,50-43-,50-45-,51-44-,51-46-,52-47-,52-48-;).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/isprazfrfdrhkk-yopyoqpvsa-n/ir
title: IR (, InChI=1S/C52H28N4.Zn/c1-5-33-9-17-37(18-10-33)49-41-25-27-43(53-41)50(38-19-11-34(6-2)12-20-38)45-29-31-47(55-45)52(40-23-15-36(8-4)16-24-40)48-32-30-46(56-48)51(44-28-26-42(49)54-44)39-21-13-35(7-3)14-22-39;/h1-4,9-32H;/q-2;+2/b49-41-,49-42-,50-43-,50-45-,51-44-,51-46-,52-47-,52-48-;)

description: dataset for IR
      
      IR (ATR, ṽ) = 3313, 3293, 3032, 2957, 2922, 2851, 2791, 2734, 2622, 2549, 2475, 2357, 2339, 2276, 2214, 2106, 2064, 1917, 1809, 1725, 1601, 1582, 1558, 1548, 1535, 1521, 1486, 1464, 1395, 1338, 1311, 1297, 1260, 1234, 1217, 1201, 1177, 1103, 1064, 1022, 1007, 991, 975, 952, 907, 885, 854, 830, 805, 791, 767, 728, 716, 669, 653, 642, 620, 608, 602, 573, 538, 528, 506, 457, 404 cm–1.
DOI: 10.14272/jqlkatzzfyojfa-zdgjynkjsa-n.1
title: C9H6Cl3N3O3
title: InChI=1S/C9H6Cl3N3O3/c10-7-4(1-13-16)8(11)6(3-15-18)9(12)5(7)2-14-17/h1-3,16-18H/b13-1+,14-2+,15-3+

description: This dataset contains experimental data from a sample (InChI=1S/C9H6Cl3N3O3/c10-7-4(1-13-16)8(11)6(3-15-18)9(12)5(7)2-14-17/h1-3,16-18H/b13-1+,14-2+,15-3+).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/jqlkatzzfyojfa-zdgjynkjsa-n/ir
title: IR (, InChI=1S/C9H6Cl3N3O3/c10-7-4(1-13-16)8(11)6(3-15-18)9(12)5(7)2-14-17/h1-3,16-18H/b13-1+,14-2+,15-3+)

description: dataset for IR
      
      IR (ATR, ṽ) = 3613, 3511, 3242, 3132, 3085, 3002, 2932, 2781, 2357, 2333, 2157, 1951, 1743, 1629, 1607, 1542, 1446, 1380, 1295, 1272, 1236, 1040, 981, 918, 789, 765, 740, 714, 669, 642, 593, 571, 416 cm–1.
DOI: 10.14272/lrunhylvqlyhci-uhfffaoysa-n.1
title: 2-[2-[4-(2-pyridin-2-ylethynyl)phenyl]ethynyl]pyridine
title: InChI=1S/C20H12N2/c1-3-15-21-19(5-1)13-11-17-7-9-18(10-8-17)12-14-20-6-2-4-16-22-20/h1-10,15-16H

description: This dataset contains experimental data from a sample (2-[2-[4-(2-pyridin-2-ylethynyl)phenyl]ethynyl]pyridine, InChI=1S/C20H12N2/c1-3-15-21-19(5-1)13-11-17-7-9-18(10-8-17)12-14-20-6-2-4-16-22-20/h1-10,15-16H).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/lrunhylvqlyhci-uhfffaoysa-n/ir
title: IR (2-[2-[4-(2-pyridin-2-ylethynyl)phenyl]ethynyl]pyridine, InChI=1S/C20H12N2/c1-3-15-21-19(5-1)13-11-17-7-9-18(10-8-17)12-14-20-6-2-4-16-22-20/h1-10,15-16H)

description: dataset for IR
      
      IR (ATR, ṽ) = 3047, 3003, 2366, 2326, 2217, 1980, 1919, 1775, 1686, 1578, 1557, 1509, 1456, 1422, 1407, 1307, 1281, 1234, 1163, 1149, 1118, 1109, 1089, 1044, 1016, 986, 960, 888, 839, 769, 734, 721, 694, 652, 625, 540, 526, 455, 402, 398 cm–1.
DOI: 10.14272/mdomtfnywhwanz-uhfffaoysa-n.1
title: C16H17N5
title: InChI=1S/C16H15N3.H2N2/c17-19-18-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14;1-2/h1-4,8,10-11H,5-7,9H2;1H2

description: This dataset contains experimental data from a sample (InChI=1S/C16H15N3.H2N2/c17-19-18-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14;1-2/h1-4,8,10-11H,5-7,9H2;1H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/mdomtfnywhwanz-uhfffaoysa-n/ir
title: IR (, InChI=1S/C16H15N3.H2N2/c17-19-18-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14;1-2/h1-4,8,10-11H,5-7,9H2;1H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 3033, 3010, 2959, 2925, 2891, 2851, 2361, 2342, 2254, 2215, 2101, 1898, 1752, 1591, 1558, 1492, 1449, 1435, 1408, 1319, 1285, 1273, 1241, 1205, 1186, 1162, 1132, 1099, 1079, 1033, 1016, 965, 946, 932, 890, 858, 843, 830, 805, 798, 769, 718, 684, 663, 646, 622, 586, 523, 507, 497, 476, 450, 438, 407, 387 cm–1.
DOI: 10.14272/mudqgqrrpjgsdl-pknbqfbnsa-n.1
title: C14H18O4
title: InChI=1S/C14H18O4/c1-4-17-14(15)9-11(2)10-18-13-7-5-12(16-3)6-8-13/h5-9H,4,10H2,1-3H3/b11-9+

description: This dataset contains experimental data from a sample (InChI=1S/C14H18O4/c1-4-17-14(15)9-11(2)10-18-13-7-5-12(16-3)6-8-13/h5-9H,4,10H2,1-3H3/b11-9+).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/mudqgqrrpjgsdl-pknbqfbnsa-n/ir
title: IR (, InChI=1S/C14H18O4/c1-4-17-14(15)9-11(2)10-18-13-7-5-12(16-3)6-8-13/h5-9H,4,10H2,1-3H3/b11-9+)

description: dataset for IR
      
      IR (ATR, ṽ) = 3737, 3048, 2979, 2953, 2935, 2907, 2874, 2836, 2360, 2340, 1711, 1660, 1592, 1506, 1463, 1442, 1383, 1367, 1326, 1312, 1272, 1220, 1179, 1145, 1108, 1098, 1069, 1034, 962, 860, 823, 747, 713, 520, 459, 449, 405 cm–1.
DOI: 10.14272/ogjztzsdxocmns-uhfffaoysa-n.2
title: C16H16O
title: InChI=1S/C16H16O/c17-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11,17H,5-7,9H2

description: This dataset contains experimental data from a sample (InChI=1S/C16H16O/c17-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11,17H,5-7,9H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/ogjztzsdxocmns-uhfffaoysa-n/ir
title: IR (, InChI=1S/C16H16O/c17-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11,17H,5-7,9H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 3466, 3393, 3012, 2949, 2924, 2888, 2850, 2361, 2342, 2323, 2186, 1598, 1562, 1496, 1415, 1366, 1327, 1320, 1261, 1214, 1179, 1160, 1140, 1102, 1085, 976, 933, 892, 870, 795, 764, 715, 688, 656, 589, 560, 544, 514, 492, 462, 446, 428, 421, 405, 385 cm–1.
DOI: 10.14272/okecalhcrraajw-uhfffaoysa-n.1
title: 1,3-bis(2-phenylphenyl)thiourea
title: InChI=1S/C25H20N2S/c28-25(26-23-17-9-7-15-21(23)19-11-3-1-4-12-19)27-24-18-10-8-16-22(24)20-13-5-2-6-14-20/h1-18H,(H2,26,27,28)

description: This dataset contains experimental data from a sample (1,3-bis(2-phenylphenyl)thiourea, InChI=1S/C25H20N2S/c28-25(26-23-17-9-7-15-21(23)19-11-3-1-4-12-19)27-24-18-10-8-16-22(24)20-13-5-2-6-14-20/h1-18H,(H2,26,27,28)).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/okecalhcrraajw-uhfffaoysa-n/ir
title: IR (1,3-bis(2-phenylphenyl)thiourea, InChI=1S/C25H20N2S/c28-25(26-23-17-9-7-15-21(23)19-11-3-1-4-12-19)27-24-18-10-8-16-22(24)20-13-5-2-6-14-20/h1-18H,(H2,26,27,28))

description: dataset for IR
      
      IR (ATR, ṽ) = 3293, 3191, 3183, 3146, 3105, 3089, 3059, 3026, 2979, 2357, 1733, 1582, 1513, 1474, 1452, 1436, 1385, 1332, 1317, 1299, 1287, 1246, 1211, 1179, 1156, 1107, 1073, 1048, 1009, 975, 920, 909, 858, 846, 771, 759, 732, 695, 679, 648, 616, 571, 555, 538, 508, 495, 481, 471, 447, 404 cm–1.
DOI: 10.14272/rguzxzcjuwoyax-cbqiqwopsa-n.1
title: C23H32FNO4
title: InChI=1S/C23H32FNO4/c1-13(2)17-10-5-14(3)11-20(17)29-22(26)18-12-19(23(27)28-4)25-21(18)15-6-8-16(24)9-7-15/h6-9,13-14,17-21,25H,5,10-12H2,1-4H3/t14-,17+,18+,19+,20-,21+/m1/s1

description: This dataset contains experimental data from a sample (InChI=1S/C23H32FNO4/c1-13(2)17-10-5-14(3)11-20(17)29-22(26)18-12-19(23(27)28-4)25-21(18)15-6-8-16(24)9-7-15/h6-9,13-14,17-21,25H,5,10-12H2,1-4H3/t14-,17+,18+,19+,20-,21+/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/rguzxzcjuwoyax-cbqiqwopsa-n/ir
title: IR (, InChI=1S/C23H32FNO4/c1-13(2)17-10-5-14(3)11-20(17)29-22(26)18-12-19(23(27)28-4)25-21(18)15-6-8-16(24)9-7-15/h6-9,13-14,17-21,25H,5,10-12H2,1-4H3/t14-,17+,18+,19+,20-,21+/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 2948, 2938, 2925, 2866, 2857, 2364, 1738, 1704, 1606, 1514, 1466, 1456, 1432, 1388, 1329, 1302, 1285, 1269, 1238, 1203, 1163, 1095, 1081, 1037, 1013, 984, 953, 926, 911, 890, 867, 847, 826, 795, 764, 731, 691, 636, 586, 560, 547, 511, 469 cm–1.
DOI: 10.14272/tyasfkrzowimfl-uhfffaoysa-n.1
title: C63H36IN7O
title: InChI=1S/C63H36IN7O/c64-39-35-33-38(34-36-39)62-66-67-63(72-62)57-58(68-49-25-9-1-17-40(49)41-18-2-10-26-50(41)68)48(37-65)59(69-51-27-11-3-19-42(51)43-20-4-12-28-52(43)69)61(71-55-31-15-7-23-46(55)47-24-8-16-32-56(47)71)60(57)70-53-29-13-5-21-44(53)45-22-6-14-30-54(45)70/h1-36H

description: This dataset contains experimental data from a sample (InChI=1S/C63H36IN7O/c64-39-35-33-38(34-36-39)62-66-67-63(72-62)57-58(68-49-25-9-1-17-40(49)41-18-2-10-26-50(41)68)48(37-65)59(69-51-27-11-3-19-42(51)43-20-4-12-28-52(43)69)61(71-55-31-15-7-23-46(55)47-24-8-16-32-56(47)71)60(57)70-53-29-13-5-21-44(53)45-22-6-14-30-54(45)70/h1-36H).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/tyasfkrzowimfl-uhfffaoysa-n/ir
title: IR (, InChI=1S/C63H36IN7O/c64-39-35-33-38(34-36-39)62-66-67-63(72-62)57-58(68-49-25-9-1-17-40(49)41-18-2-10-26-50(41)68)48(37-65)59(69-51-27-11-3-19-42(51)43-20-4-12-28-52(43)69)61(71-55-31-15-7-23-46(55)47-24-8-16-32-56(47)71)60(57)70-53-29-13-5-21-44(53)45-22-6-14-30-54(45)70/h1-36H)

description: dataset for IR
      
      IR (ATR, ṽ) = 3735, 3046, 3020, 2922, 2847, 2363, 2343, 2325, 1749, 1686, 1625, 1596, 1543, 1489, 1476, 1446, 1401, 1333, 1307, 1293, 1221, 1179, 1150, 1118, 1085, 1061, 1026, 1004, 958, 922, 858, 826, 786, 742, 721, 693, 684, 636, 618, 595, 577, 554, 527, 504, 487, 439, 419, 375 cm–1.
DOI: 10.14272/uumjkzvrnpvqam-uhfffaoysa-n/ir
title: IR (1,3,5-triiodo-2,4,6-trimethylbenzene, InChI=1S/C9H9I3/c1-4-7(10)5(2)9(12)6(3)8(4)11/h1-3H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 2946, 2361, 2335, 1982, 1741, 1513, 1427, 1417, 1372, 1327, 1248, 1236, 1211, 1185, 1152, 1132, 1115, 1032, 1007, 934, 881, 856, 693, 640, 604, 445 cm–1.
DOI: 10.14272/xsvglmqqymqctr-uhfffaoysa-n.1
title: 1-[4-[3,5-bis(4-acetylphenyl)phenyl]phenyl]ethanone
title: InChI=1S/C30H24O3/c1-19(31)22-4-10-25(11-5-22)28-16-29(26-12-6-23(7-13-26)20(2)32)18-30(17-28)27-14-8-24(9-15-27)21(3)33/h4-18H,1-3H3

description: This dataset contains experimental data from a sample (1-[4-[3,5-bis(4-acetylphenyl)phenyl]phenyl]ethanone, InChI=1S/C30H24O3/c1-19(31)22-4-10-25(11-5-22)28-16-29(26-12-6-23(7-13-26)20(2)32)18-30(17-28)27-14-8-24(9-15-27)21(3)33/h4-18H,1-3H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/xsvglmqqymqctr-uhfffaoysa-n/ir
title: IR (1-[4-[3,5-bis(4-acetylphenyl)phenyl]phenyl]ethanone, InChI=1S/C30H24O3/c1-19(31)22-4-10-25(11-5-22)28-16-29(26-12-6-23(7-13-26)20(2)32)18-30(17-28)27-14-8-24(9-15-27)21(3)33/h4-18H,1-3H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 2364, 1674, 1599, 1561, 1424, 1391, 1356, 1309, 1271, 1244, 1184, 1118, 1069, 1013, 952, 885, 815, 732, 710, 700, 609, 591, 487, 472, 419, 405, 398, 385 cm–1.
DOI: 10.17632/6n6bzmtk27.1
title: Data for: SENSITIVITY UNCERTAINTY ANALYSIS AND NEW NEUTRON CAPTURE CROSS-SECTIONS FOR GADOLINIUM ODD-ISOTOPES TO SUPPORT NUCLEAR SAFETY

description: This dataset reports the results of some Monte Carlo simulations (MCNP6) about: 1) A picture of the gadolinium samples used in the CERN experimental campaign (n_TOF project). 2) the raw data from which has been obtained the 155Gd155 and 157Gd sensitivity in the ZED-2 facility for different gadolinium concentration (0.0, 0.5, 1.5, 2.0 ppm) in the moderator; 3) the raw data from which has been obtained the ZED-2 spectra for different gadolinium concentration (0.0, 0.5, 1.5, 2.0) in the moderator. 4) horizontal and vertical view of the ZED-2 facility as performed by MCNP6.
DOI: 10.14272/gjhdfyjjgqonbl-hhgwjhhpsa-n.1
title: C40H38O14
title: InChI=1S/C40H38O14/c1-19-15-25(47-3)33-23(41)17-39(37(45)49-5,27-11-13-29(43)51-27)53-35(33)31(19)21-7-9-22(10-8-21)32-20(2)16-26(48-4)34-24(42)18-40(38(46)50-6,54-36(32)34)28-12-14-30(44)52-28/h7-10,15-16,27-28H,11-14,17-18H2,1-6H3/t27-,28-,39-,40-/m1/s1

description: This dataset contains experimental data from a sample (InChI=1S/C40H38O14/c1-19-15-25(47-3)33-23(41)17-39(37(45)49-5,27-11-13-29(43)51-27)53-35(33)31(19)21-7-9-22(10-8-21)32-20(2)16-26(48-4)34-24(42)18-40(38(46)50-6,54-36(32)34)28-12-14-30(44)52-28/h7-10,15-16,27-28H,11-14,17-18H2,1-6H3/t27-,28-,39-,40-/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/gjhdfyjjgqonbl-hhgwjhhpsa-n/ir
title: IR (, InChI=1S/C40H38O14/c1-19-15-25(47-3)33-23(41)17-39(37(45)49-5,27-11-13-29(43)51-27)53-35(33)31(19)21-7-9-22(10-8-21)32-20(2)16-26(48-4)34-24(42)18-40(38(46)50-6,54-36(32)34)28-12-14-30(44)52-28/h7-10,15-16,27-28H,11-14,17-18H2,1-6H3/t27-,28-,39-,40-/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 2955, 2927, 2851, 2363, 2342, 1783, 1749, 1683, 1601, 1564, 1517, 1472, 1463, 1436, 1392, 1337, 1285, 1249, 1196, 1160, 1122, 1094, 1055, 1031, 1006, 960, 929, 912, 836, 815, 782, 735, 715, 657, 618, 584, 543, 506, 493, 460, 436, 419, 398, 385 cm–1.
DOI: 10.14272/hotmmjrjohglrs-uhfffaoysa-n.2
title: C17H15BrO
title: InChI=1S/C17H15BrO/c18-17-15-8-6-13-3-1-12(2-4-13)5-7-14(9-10-15)16(17)11-19/h1-4,9-11H,5-8H2

description: This dataset contains experimental data from a sample (6-bromotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbaldehyde, InChI=1S/C17H15BrO/c18-17-15-8-6-13-3-1-12(2-4-13)5-7-14(9-10-15)16(17)11-19/h1-4,9-11H,5-8H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/hotmmjrjohglrs-uhfffaoysa-n/ir.1
title: IR (6-bromotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbaldehyde, InChI=1S/C17H15BrO/c18-17-15-8-6-13-3-1-12(2-4-13)5-7-14(9-10-15)16(17)11-19/h1-4,9-11H,5-8H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 2921, 2854, 1684, 1653, 1533, 1455, 1434, 1368, 1224, 1193, 1174, 1163, 1118, 892, 871, 799, 769, 714, 666, 653, 578, 514, 476, 448, 398 cm–1.
DOI: 10.14272/hphplvdtsmaoka-uhfffaoysa-n.1
title: C14H21BO4S
title: InChI=1S/C14H21BO4S/c1-7-17-12(16)11-8-10(9(2)20-11)15-18-13(3,4)14(5,6)19-15/h8H,7H2,1-6H3

description: This dataset contains experimental data from a sample (ethyl 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate, InChI=1S/C14H21BO4S/c1-7-17-12(16)11-8-10(9(2)20-11)15-18-13(3,4)14(5,6)19-15/h8H,7H2,1-6H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/hphplvdtsmaoka-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (ethyl 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate)
title: InChI=1S/C14H21BO4S/c1-7-17-12(16)11-8-10(9(2)20-11)15-18-13(3,4)14(5,6)19-15/h8H,7H2,1-6H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2975, 2945, 2929, 2910, 2873, 1706, 1538, 1472, 1449, 1417, 1397, 1391, 1381, 1367, 1347, 1312, 1276, 1255, 1213, 1167, 1142, 1116, 1089, 1028, 960, 891, 866, 846, 826, 755, 715, 697, 667, 645, 582, 487, 395 cm–1.
DOI: 10.14272/joyixjkyqujkqo-uhfffaoysa-n.1
title: 2,4-dichloro-6-(4-methoxyphenyl)-1,3,5-triazine
title: InChI=1S/C10H7Cl2N3O/c1-16-7-4-2-6(3-5-7)8-13-9(11)15-10(12)14-8/h2-5H,1H3

description: This dataset contains experimental data from a sample (2,4-dichloro-6-(4-methoxyphenyl)-1,3,5-triazine, InChI=1S/C10H7Cl2N3O/c1-16-7-4-2-6(3-5-7)8-13-9(11)15-10(12)14-8/h2-5H,1H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/joyixjkyqujkqo-uhfffaoysa-n/ir
title: IR (2,4-dichloro-6-(4-methoxyphenyl)-1,3,5-triazine, InChI=1S/C10H7Cl2N3O/c1-16-7-4-2-6(3-5-7)8-13-9(11)15-10(12)14-8/h2-5H,1H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 1744, 1604, 1578, 1519, 1475, 1456, 1442, 1419, 1388, 1332, 1319, 1303, 1245, 1180, 1169, 1153, 1108, 1041, 1014, 976, 902, 844, 824, 810, 796, 778, 670, 636, 591, 550, 510 cm–1.
DOI: 10.14272/ngxbiaatvxjjqb-uuwrzzswsa-n.1
title: C34H42O6Si
title: InChI=1S/C34H42O6Si/c1-7-38-31(36)19-14-20-34(5)23-28(35)32-29(37-6)21-25(22-30(32)40-34)24-39-41(33(2,3)4,26-15-10-8-11-16-26)27-17-12-9-13-18-27/h8-13,15-18,21-22H,7,14,19-20,23-24H2,1-6H3/t34-/m1/s1

description: This dataset contains experimental data from a sample (InChI=1S/C34H42O6Si/c1-7-38-31(36)19-14-20-34(5)23-28(35)32-29(37-6)21-25(22-30(32)40-34)24-39-41(33(2,3)4,26-15-10-8-11-16-26)27-17-12-9-13-18-27/h8-13,15-18,21-22H,7,14,19-20,23-24H2,1-6H3/t34-/m1/s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/ngxbiaatvxjjqb-uuwrzzswsa-n/ir
title: IR (, InChI=1S/C34H42O6Si/c1-7-38-31(36)19-14-20-34(5)23-28(35)32-29(37-6)21-25(22-30(32)40-34)24-39-41(33(2,3)4,26-15-10-8-11-16-26)27-17-12-9-13-18-27/h8-13,15-18,21-22H,7,14,19-20,23-24H2,1-6H3/t34-/m1/s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 3072, 3050, 2958, 2931, 2897, 2856, 2363, 2339, 1731, 1684, 1613, 1568, 1472, 1460, 1425, 1368, 1313, 1278, 1264, 1217, 1157, 1135, 1103, 1048, 1016, 999, 963, 938, 898, 822, 741, 701, 612, 588, 557, 503, 489, 439, 418, 405, 398, 385 cm–1.
DOI: 10.14272/prwatgaciordel-uhfffaoysa-n.1
title: 2,4,5,6-tetra(carbazol-9-yl)benzene-1,3-dicarbonitrile
title: InChI=1S/C56H32N6/c57-33-43-53(59-45-25-9-1-17-35(45)36-18-2-10-26-46(36)59)44(34-58)55(61-49-29-13-5-21-39(49)40-22-6-14-30-50(40)61)56(62-51-31-15-7-23-41(51)42-24-8-16-32-52(42)62)54(43)60-47-27-11-3-19-37(47)38-20-4-12-28-48(38)60/h1-32H

description: This dataset contains experimental data from a sample (2,4,5,6-tetra(carbazol-9-yl)benzene-1,3-dicarbonitrile, InChI=1S/C56H32N6/c57-33-43-53(59-45-25-9-1-17-35(45)36-18-2-10-26-46(36)59)44(34-58)55(61-49-29-13-5-21-39(49)40-22-6-14-30-50(40)61)56(62-51-31-15-7-23-41(51)42-24-8-16-32-52(42)62)54(43)60-47-27-11-3-19-37(47)38-20-4-12-28-48(38)60/h1-32H).
      The datasets from the following experiments are available:
      
      IR