cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/kuogvdskrxzpej-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (2,3,4,6-tetra(carbazol-9-yl)-5-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzonitrile)
title: InChI=1S/C61H35N7OS/c62-36-45-56(65-46-26-9-1-18-37(46)38-19-2-10-27-47(38)65)55(61-64-63-60(69-61)54-34-17-35-70-54)58(67-50-30-13-5-22-41(50)42-23-6-14-31-51(42)67)59(68-52-32-15-7-24-43(52)44-25-8-16-33-53(44)68)57(45)66-48-28-11-3-20-39(48)40-21-4-12-29-49(40)66/h1-35H

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3047, 2922, 2851, 1623, 1596, 1582, 1565, 1527, 1489, 1477, 1448, 1333, 1309, 1264, 1222, 1177, 1150, 1119, 1058, 1027, 973, 924, 853, 741, 720, 683, 639, 618, 575, 558, 550, 528, 486, 442, 421, 390, 387 cm–1.
DOI: 10.14272/xugfxwhzqiuncq-uhfffaoysa-n/ir
title: IR (, InChI=1S/C11H16N2O3/c1-7(2)10-5-9(13(15)16)6-11(8(3)4)12(10)14/h5-8H,1-4H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3108, 2971, 2936, 2895, 2875, 2840, 2357, 2343, 1754, 1739, 1727, 1609, 1580, 1513, 1466, 1452, 1405, 1385, 1358, 1352, 1325, 1262, 1217, 1189, 1170, 1148, 1115, 1085, 936, 895, 883, 871, 828, 767, 742, 536, 426 cm–1.
DOI: 10.14272/ydzjyfwyhbuuka-uhfffaoysa-n.1
title: 4-bromo-2-methyl-5-propan-2-ylphenol
title: InChI=1S/C10H13BrO/c1-6(2)8-5-10(12)7(3)4-9(8)11/h4-6,12H,1-3H3

description: This dataset contains experimental data from a sample (4-bromo-2-methyl-5-propan-2-ylphenol, InChI=1S/C10H13BrO/c1-6(2)8-5-10(12)7(3)4-9(8)11/h4-6,12H,1-3H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/ydzjyfwyhbuuka-uhfffaoysa-n/ir
title: IR (4-bromo-2-methyl-5-propan-2-ylphenol, InChI=1S/C10H13BrO/c1-6(2)8-5-10(12)7(3)4-9(8)11/h4-6,12H,1-3H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3301, 2963, 2924, 2867, 2364, 1732, 1613, 1581, 1492, 1455, 1392, 1377, 1347, 1254, 1221, 1176, 1145, 1133, 1077, 1003, 958, 875, 857, 778, 718, 674, 608, 555, 516, 482, 462, 428 cm–1.
DOI: 10.14272/yhxmakcxivllgx-uhfffaoysa-n.1
title: C22H20ClN
title: InChI=1S/C22H20ClN/c23-20-3-1-2-4-21(20)24-22-15-18-10-9-16-5-7-17(8-6-16)11-13-19(22)14-12-18/h1-8,12,14-15,24H,9-11,13H2

description: This dataset contains experimental data from a sample (InChI=1S/C22H20ClN/c23-20-3-1-2-4-21(20)24-22-15-18-10-9-16-5-7-17(8-6-16)11-13-19(22)14-12-18/h1-8,12,14-15,24H,9-11,13H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/agyplzhkxmpafz-uhfffaoysa-n.1
title: C70H43N7O
title: InChI=1S/C70H43N7O/c71-43-54-65(74-55-35-15-7-27-46(55)47-28-8-16-36-56(47)74)64(70-73-72-69(78-70)63(44-23-3-1-4-24-44)45-25-5-2-6-26-45)67(76-59-39-19-11-31-50(59)51-32-12-20-40-60(51)76)68(77-61-41-21-13-33-52(61)53-34-14-22-42-62(53)77)66(54)75-57-37-17-9-29-48(57)49-30-10-18-38-58(49)75/h1-42,63H

description: This dataset contains experimental data from a sample (3-(5-benzhydryl-1,3,4-oxadiazol-2-yl)-2,4,5,6-tetra(carbazol-9-yl)benzonitrile, InChI=1S/C70H43N7O/c71-43-54-65(74-55-35-15-7-27-46(55)47-28-8-16-36-56(47)74)64(70-73-72-69(78-70)63(44-23-3-1-4-24-44)45-25-5-2-6-26-45)67(76-59-39-19-11-31-50(59)51-32-12-20-40-60(51)76)68(77-61-41-21-13-33-52(61)53-34-14-22-42-62(53)77)66(54)75-57-37-17-9-29-48(57)49-30-10-18-38-58(49)75/h1-42,63H). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/agyplzhkxmpafz-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (3-(5-benzhydryl-1,3,4-oxadiazol-2-yl)-2,4,5,6-tetra(carbazol-9-yl)benzonitrile)
title: InChI=1S/C70H43N7O/c71-43-54-65(74-55-35-15-7-27-46(55)47-28-8-16-36-56(47)74)64(70-73-72-69(78-70)63(44-23-3-1-4-24-44)45-25-5-2-6-26-45)67(76-59-39-19-11-31-50(59)51-32-12-20-40-60(51)76)68(77-61-41-21-13-33-52(61)53-34-14-22-42-62(53)77)66(54)75-57-37-17-9-29-48(57)49-30-10-18-38-58(49)75/h1-42,63H

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3058, 3048, 3024, 2921, 2847, 1623, 1598, 1555, 1490, 1477, 1446, 1333, 1309, 1222, 1152, 1119, 1027, 1009, 980, 969, 926, 858, 843, 742, 720, 696, 618, 558, 551, 527, 503, 486, 442, 422 cm–1.
DOI: 10.14272/hbbbqhjxczeyov-uhfffaoysa-n.1
title: C19H17F3OSi
title: InChI=1S/C19H17F3OSi/c1-24(2,3)13-12-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18(23)19(20,21)22/h4-11H,1-3H3

description: This dataset contains experimental data from a sample (InChI=1S/C19H17F3OSi/c1-24(2,3)13-12-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18(23)19(20,21)22/h4-11H,1-3H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/hbbbqhjxczeyov-uhfffaoysa-n/ir
title: IR (, InChI=1S/C19H17F3OSi/c1-24(2,3)13-12-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18(23)19(20,21)22/h4-11H,1-3H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 2965, 2363, 2157, 1715, 1603, 1546, 1517, 1491, 1482, 1403, 1393, 1336, 1287, 1252, 1221, 1197, 1175, 1148, 1075, 1003, 967, 934, 842, 834, 822, 763, 718, 706, 671, 653, 646, 634, 614, 599, 557, 546, 536, 524, 504, 479, 428 cm–1.
DOI: 10.14272/kzmqscmpiikcok-lwqdqpmzsa-n.2
title: C44H29BrN4
title: InChI=1S/C44H29BrN4/c45-32-18-16-31(17-19-32)44-39-26-24-37(48-39)42(29-12-6-2-7-13-29)35-22-20-33(46-35)41(28-10-4-1-5-11-28)34-21-23-36(47-34)43(30-14-8-3-9-15-30)38-25-27-40(44)49-38/h1-27,46,49H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-

description: This dataset contains experimental data from a sample (InChI=1S/C44H29BrN4/c45-32-18-16-31(17-19-32)44-39-26-24-37(48-39)42(29-12-6-2-7-13-29)35-22-20-33(46-35)41(28-10-4-1-5-11-28)34-21-23-36(47-34)43(30-14-8-3-9-15-30)38-25-27-40(44)49-38/h1-27,46,49H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/kzmqscmpiikcok-lwqdqpmzsa-n/ir
title: IR (, InChI=1S/C44H29BrN4/c45-32-18-16-31(17-19-32)44-39-26-24-37(48-39)42(29-12-6-2-7-13-29)35-22-20-33(46-35)41(28-10-4-1-5-11-28)34-21-23-36(47-34)43(30-14-8-3-9-15-30)38-25-27-40(44)49-38/h1-27,46,49H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-)

description: dataset for IR
      
      IR (ATR, ṽ) = 3312, 3051, 3020, 1595, 1554, 1472, 1439, 1388, 1349, 1221, 1211, 1176, 1154, 1096, 1069, 980, 963, 875, 847, 795, 727, 698, 656, 639, 619, 557, 516, 443, 409, 382 cm–1.
DOI: 10.14272/lblqegbxqylsep-uhfffaoysa-n.1
title: 2,4,6-trichlorobenzene-1,3,5-tricarbonitrile
title: InChI=1S/C9Cl3N3/c10-7-4(1-13)8(11)6(3-15)9(12)5(7)2-14

description: This dataset contains experimental data from a sample (2,4,6-trichlorobenzene-1,3,5-tricarbonitrile, InChI=1S/C9Cl3N3/c10-7-4(1-13)8(11)6(3-15)9(12)5(7)2-14).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/lblqegbxqylsep-uhfffaoysa-n/ir
title: IR (2,4,6-trichlorobenzene-1,3,5-tricarbonitrile, InChI=1S/C9Cl3N3/c10-7-4(1-13)8(11)6(3-15)9(12)5(7)2-14)

description: dataset for IR
      
      IR (ATR, ṽ) = 2240, 1711, 1548, 1451, 1397, 1375, 1286, 1222, 987, 762, 710, 482, 448 cm–1.
DOI: 10.14272/uitrnilxeicajh-uhfffaoysa-n.1
title: 2-iodo-1,3,5-trimethoxybenzene
title: InChI=1S/C9H11IO3/c1-11-6-4-7(12-2)9(10)8(5-6)13-3/h4-5H,1-3H3

description: This dataset contains experimental data from a sample (2-iodo-1,3,5-trimethoxybenzene, InChI=1S/C9H11IO3/c1-11-6-4-7(12-2)9(10)8(5-6)13-3/h4-5H,1-3H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/uitrnilxeicajh-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (2-iodo-1,3,5-trimethoxybenzene)
title: InChI=1S/C9H11IO3/c1-11-6-4-7(12-2)9(10)8(5-6)13-3/h4-5H,1-3H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2996, 2963, 2931, 2834, 2364, 1578, 1460, 1432, 1401, 1341, 1224, 1207, 1181, 1157, 1120, 1069, 1031, 1016, 950, 912, 803, 778, 698, 662, 622, 603, 574, 462 cm–1.
DOI: 10.14272/wlarpcsigdfhlm-uhfffaoysa-n.1
title: C26H31NO3
title: InChI=1S/C26H31NO3/c1-3-4-10-26(11-6-5-7-12-26)21-16-23(29-2)22-15-20(25(28)30-24(22)17-21)14-19-9-8-13-27-18-19/h8-9,13,15-18H,3-7,10-12,14H2,1-2H3

description: This dataset contains experimental data from a sample (InChI=1S/C26H31NO3/c1-3-4-10-26(11-6-5-7-12-26)21-16-23(29-2)22-15-20(25(28)30-24(22)17-21)14-19-9-8-13-27-18-19/h8-9,13,15-18H,3-7,10-12,14H2,1-2H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/wlarpcsigdfhlm-uhfffaoysa-n/ir
title: IR (, InChI=1S/C26H31NO3/c1-3-4-10-26(11-6-5-7-12-26)21-16-23(29-2)22-15-20(25(28)30-24(22)17-21)14-19-9-8-13-27-18-19/h8-9,13,15-18H,3-7,10-12,14H2,1-2H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 2927, 2856, 2364, 1717, 1613, 1568, 1496, 1455, 1415, 1343, 1254, 1180, 1112, 1051, 1027, 916, 841, 790, 778, 738, 713, 686, 630, 608, 558, 399 cm–1.
DOI: 10.14272/xnqikuduzmffhm-uhfffaoysa-n.1
title: 2,4,6-tri(carbazol-9-yl)benzene-1,3,5-tricarbonitrile
title: InChI=1S/C45H24N6/c46-25-34-43(49-37-19-7-1-13-28(37)29-14-2-8-20-38(29)49)35(26-47)45(51-41-23-11-5-17-32(41)33-18-6-12-24-42(33)51)36(27-48)44(34)50-39-21-9-3-15-30(39)31-16-4-10-22-40(31)50/h1-24H

description: This dataset contains experimental data from a sample (2,4,6-tri(carbazol-9-yl)benzene-1,3,5-tricarbonitrile, InChI=1S/C45H24N6/c46-25-34-43(49-37-19-7-1-13-28(37)29-14-2-8-20-38(29)49)35(26-47)45(51-41-23-11-5-17-32(41)33-18-6-12-24-42(33)51)36(27-48)44(34)50-39-21-9-3-15-30(39)31-16-4-10-22-40(31)50/h1-24H).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/xnqikuduzmffhm-uhfffaoysa-n/ir
title: IR (2,4,6-tri(carbazol-9-yl)benzene-1,3,5-tricarbonitrile, InChI=1S/C45H24N6/c46-25-34-43(49-37-19-7-1-13-28(37)29-14-2-8-20-38(29)49)35(26-47)45(51-41-23-11-5-17-32(41)33-18-6-12-24-42(33)51)36(27-48)44(34)50-39-21-9-3-15-30(39)31-16-4-10-22-40(31)50/h1-24H)

description: dataset for IR
      
      IR (ATR, ṽ) = 3053, 2919, 2851, 2240, 1598, 1531, 1487, 1476, 1453, 1436, 1339, 1329, 1303, 1285, 1227, 1205, 1153, 1118, 1028, 1006, 967, 935, 897, 769, 739, 718, 694, 615, 589, 554, 527, 479, 463, 442, 418 cm–1.
DOI: 10.14272/yhxmakcxivllgx-uhfffaoysa-n/ir
title: IR (, InChI=1S/C22H20ClN/c23-20-3-1-2-4-21(20)24-22-15-18-10-9-16-5-7-17(8-6-16)11-13-19(22)14-12-18/h1-8,12,14-15,24H,9-11,13H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 3401, 3009, 2953, 2919, 2888, 2849, 1587, 1562, 1490, 1452, 1434, 1315, 1289, 1258, 1227, 1181, 1156, 1123, 1091, 1050, 1031, 980, 938, 929, 897, 882, 844, 799, 749, 718, 687, 656, 639, 589, 578, 540, 513, 503, 456, 435, 392 cm–1.
DOI: 10.14272/atcqgpieajdziz-uhfffaoysa-n.2
title: C63H32F5N7O
title: InChI=1S/C63H32F5N7O/c64-53-51(54(65)56(67)57(68)55(53)66)62-70-71-63(76-62)52-58(72-43-25-9-1-17-34(43)35-18-2-10-26-44(35)72)42(33-69)59(73-45-27-11-3-19-36(45)37-20-4-12-28-46(37)73)61(75-49-31-15-7-23-40(49)41-24-8-16-32-50(41)75)60(52)74-47-29-13-5-21-38(47)39-22-6-14-30-48(39)74/h1-32H

description: This dataset contains experimental data from a sample (2,3,4,6-tetra(carbazol-9-yl)-5-[5-(2,3,4,5,6-pentafluorophenyl)-1,3,4-oxadiazol-2-yl]benzonitrile, InChI=1S/C63H32F5N7O/c64-53-51(54(65)56(67)57(68)55(53)66)62-70-71-63(76-62)52-58(72-43-25-9-1-17-34(43)35-18-2-10-26-44(35)72)42(33-69)59(73-45-27-11-3-19-36(45)37-20-4-12-28-46(37)73)61(75-49-31-15-7-23-40(49)41-24-8-16-32-50(41)75)60(52)74-47-29-13-5-21-38(47)39-22-6-14-30-48(39)74/h1-32H). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/atcqgpieajdziz-uhfffaoysa-n/ir.1
title: infrared absorption spectroscopy (IR) (2,3,4,6-tetra(carbazol-9-yl)-5-[5-(2,3,4,5,6-pentafluorophenyl)-1,3,4-oxadiazol-2-yl]benzonitrile)
title: InChI=1S/C63H32F5N7O/c64-53-51(54(65)56(67)57(68)55(53)66)62-70-71-63(76-62)52-58(72-43-25-9-1-17-34(43)35-18-2-10-26-44(35)72)42(33-69)59(73-45-27-11-3-19-36(45)37-20-4-12-28-46(37)73)61(75-49-31-15-7-23-40(49)41-24-8-16-32-50(41)75)60(52)74-47-29-13-5-21-38(47)39-22-6-14-30-48(39)74/h1-32H

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3047, 3020, 1655, 1598, 1519, 1496, 1477, 1446, 1333, 1307, 1279, 1221, 1176, 1150, 1119, 1095, 996, 973, 922, 832, 742, 720, 686, 618, 595, 577, 551, 484, 463, 438, 421, 401 cm–1.
DOI: 10.14272/mgonijzzosxfhn-uhfffaoysa-n.1
title: tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]propanoate
title: InChI=1S/C11H21NO4/c1-5-15-10(14)8-12-7-6-9(13)16-11(2,3)4/h12H,5-8H2,1-4H3

description: This dataset contains experimental data from a sample (tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]propanoate, InChI=1S/C11H21NO4/c1-5-15-10(14)8-12-7-6-9(13)16-11(2,3)4/h12H,5-8H2,1-4H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/mgonijzzosxfhn-uhfffaoysa-n/ir
title: IR (tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]propanoate, InChI=1S/C11H21NO4/c1-5-15-10(14)8-12-7-6-9(13)16-11(2,3)4/h12H,5-8H2,1-4H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3903, 3854, 3839, 3819, 3803, 3748, 3734, 3711, 3690, 3676, 3649, 3629, 3618, 3588, 3564, 3546, 3065, 3033, 3000, 2976, 2932, 2873, 2640, 2615, 2408, 2380, 2351, 2295, 2240, 1724, 1684, 1662, 1653, 1646, 1602, 1588, 1541, 1521, 1507, 1489, 1458, 1388, 1367, 1327, 1251, 1218, 1150, 1094, 1068, 1052, 1034, 1006, 973, 950, 931, 915, 888, 847, 805, 759, 705, 657, 585, 558, 533, 492, 458, 429, 397 cm–1.
DOI: 10.14272/mliodkrpyfhvok-ghvnzwnmsa-n.1
title: C14H23N5O7S
title: InChI=1S/C14H21N3O7S.H2N2/c1-5-25-14-13(23-9(4)20)12(22-8(3)19)11(21-7(2)18)10(24-14)6-16-17-15;1-2/h10-14H,5-6H2,1-4H3;1H2/t10?,11-,12+,13?,14+;/m1./s1

description: This dataset contains experimental data from a sample (InChI=1S/C14H21N3O7S.H2N2/c1-5-25-14-13(23-9(4)20)12(22-8(3)19)11(21-7(2)18)10(24-14)6-16-17-15;1-2/h10-14H,5-6H2,1-4H3;1H2/t10?,11-,12+,13?,14+;/m1./s1).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/mliodkrpyfhvok-ghvnzwnmsa-n/ir
title: IR (, InChI=1S/C14H21N3O7S.H2N2/c1-5-25-14-13(23-9(4)20)12(22-8(3)19)11(21-7(2)18)10(24-14)6-16-17-15;1-2/h10-14H,5-6H2,1-4H3;1H2/t10?,11-,12+,13?,14+;/m1./s1)

description: dataset for IR
      
      IR (ATR, ṽ) = 3903, 3854, 3837, 3819, 3803, 3751, 3735, 3710, 3690, 3674, 3649, 3629, 3616, 3585, 3567, 2976, 2938, 2874, 2346, 2089, 1741, 1686, 1650, 1636, 1557, 1540, 1519, 1509, 1489, 1473, 1456, 1435, 1424, 1378, 1361, 1302, 1268, 1245, 1217, 1125, 1099, 1092, 1075, 1058, 1031, 979, 915, 902, 890, 867, 832, 793, 761, 722, 674, 640, 603, 584, 568, 557, 538, 493, 458, 438, 424, 407 cm–1.
DOI: 10.14272/xuguhtgsmpzqiw-uhfffaoysa-n.1
title: [[4-(4-diazonioiminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]hydrazinylidene]azanide
title: InChI=1S/C12H8N6/c13-17-15-11-5-1-9(2-6-11)10-3-7-12(8-4-10)16-18-14/h1-8H

description: This dataset contains experimental data from a sample ([[4-(4-diazonioiminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]hydrazinylidene]azanide, InChI=1S/C12H8N6/c13-17-15-11-5-1-9(2-6-11)10-3-7-12(8-4-10)16-18-14/h1-8H). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/xuguhtgsmpzqiw-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) ([[4-(4-diazonioiminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]hydrazinylidene]azanide)
title: InChI=1S/C12H8N6/c13-17-15-11-5-1-9(2-6-11)10-3-7-12(8-4-10)16-18-14/h1-8H

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3218, 3033, 2956, 2421, 2344, 2264, 2132, 2092, 2019, 1606, 1592, 1561, 1492, 1482, 1407, 1288, 1261, 1211, 1181, 1130, 1116, 1017, 1001, 956, 826, 807, 762, 738, 690, 671, 531, 499, 465, 394 cm–1.
DOI: 10.14272/ddrpcxlaqzkbjp-uhfffaoysa-n.1
title: furan-2-ylmethanamine
title: InChI=1S/C5H7NO/c6-4-5-2-1-3-7-5/h1-3H,4,6H2

description: This dataset contains experimental data from a sample (furan-2-ylmethanamine, InChI=1S/C5H7NO/c6-4-5-2-1-3-7-5/h1-3H,4,6H2).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/ddrpcxlaqzkbjp-uhfffaoysa-n/ir
title: IR (furan-2-ylmethanamine, InChI=1S/C5H7NO/c6-4-5-2-1-3-7-5/h1-3H,4,6H2)

description: dataset for IR
      
      IR (ATR, ṽ) = 3903, 3884, 3870, 3853, 3839, 3820, 3802, 3748, 3734, 3724, 3710, 3690, 3672, 3650, 3628, 3618, 3588, 3567, 3548, 3373, 3291, 3114, 2914, 2859, 2350, 1747, 1734, 1717, 1698, 1684, 1670, 1649, 1595, 1558, 1541, 1506, 1473, 1458, 1421, 1375, 1364, 1339, 1238, 1214, 1188, 1147, 1069, 1007, 918, 882, 868, 805, 732, 623, 599, 527, 517, 503, 487, 472, 442, 429, 418, 399, 384 cm–1.
DOI: 10.14272/dpblxkkoblcelk-uhfffaoysa-n.1
title: pentan-1-amine
title: InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3

description: This dataset contains experimental data from a sample (pentan-1-amine, InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/dpblxkkoblcelk-uhfffaoysa-n/ir
title: IR (pentan-1-amine, InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3900, 3852, 3837, 3818, 3802, 3750, 3735, 3710, 3687, 3674, 3650, 3631, 3616, 3587, 3567, 3544, 3444, 3369, 3282, 2956, 2924, 2856, 2347, 1867, 1844, 1829, 1793, 1772, 1748, 1734, 1715, 1698, 1684, 1669, 1652, 1649, 1635, 1594, 1575, 1560, 1541, 1520, 1509, 1499, 1487, 1465, 1458, 1434, 1424, 1378, 1336, 1317, 1230, 1218, 1125, 1089, 1068, 1052, 980, 863, 816, 773, 728, 547, 496, 456, 429, 398, 385 cm–1.
DOI: 10.14272/facyddwlsgtkqn-uhfffaoysa-n.1
title: C30H18BNO3
title: InChI=1S/C30H18BNO3/c1-5-13-26-20(9-1)22-17-19(18-23-21-10-2-6-14-27(21)35-31(34-26)30(22)23)32-24-11-3-7-15-28(24)33-29-16-8-4-12-25(29)32/h1-18H

description: This dataset contains experimental data from a sample (10-(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)phenoxazine, InChI=1S/C30H18BNO3/c1-5-13-26-20(9-1)22-17-19(18-23-21-10-2-6-14-27(21)35-31(34-26)30(22)23)32-24-11-3-7-15-28(24)33-29-16-8-4-12-25(29)32/h1-18H). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/facyddwlsgtkqn-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (10-(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)phenoxazine)
title: InChI=1S/C30H18BNO3/c1-5-13-26-20(9-1)22-17-19(18-23-21-10-2-6-14-27(21)35-31(34-26)30(22)23)32-24-11-3-7-15-28(24)33-29-16-8-4-12-25(29)32/h1-18H

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3903, 3881, 3870, 3852, 3840, 3820, 3803, 3784, 3748, 3734, 3713, 3689, 3673, 3648, 3628, 3619, 3585, 3565, 3546, 3523, 3448, 3061, 3030, 2924, 2850, 2689, 2616, 2351, 2016, 1949, 1912, 1868, 1846, 1830, 1792, 1771, 1747, 1734, 1717, 1700, 1683, 1672, 1652, 1636, 1604, 1581, 1568, 1557, 1543, 1506, 1489, 1463, 1418, 1374, 1339, 1315, 1292, 1269, 1238, 1208, 1169, 1157, 1145, 1119, 1088, 1044, 1034, 976, 956, 939, 916, 874, 857, 836, 781, 754, 735, 711, 683, 662, 623, 612, 602, 550, 537, 513, 499, 472, 455, 446, 419, 404 cm–1.
DOI: 10.14272/qfkmmxylapzkib-uhfffaoysa-n.1
title: undecan-1-amine
title: InChI=1S/C11H25N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-12H2,1H3

description: This dataset contains experimental data from a sample (undecan-1-amine, InChI=1S/C11H25N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-12H2,1H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/qfkmmxylapzkib-uhfffaoysa-n/ir
title: IR (undecan-1-amine, InChI=1S/C11H25N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-12H2,1H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3903, 3869, 3852, 3839, 3822, 3803, 3748, 3734, 3711, 3691, 3674, 3649, 3628, 3614, 3585, 3567, 3546, 3333, 2955, 2919, 2851, 2349, 2145, 2014, 1867, 1771, 1749, 1732, 1718, 1700, 1684, 1670, 1647, 1636, 1577, 1570, 1560, 1541, 1521, 1507, 1489, 1466, 1459, 1438, 1388, 1377, 1364, 1350, 1340, 1317, 1231, 1218, 1211, 1159, 1120, 1069, 1055, 1007, 888, 816, 795, 721, 663, 615, 584, 564, 544, 523, 483, 470, 438 cm–1.
DOI: 10.14272/xpdospjrjkibrz-uhfffaoysa-n.1
title: C20H16Cl2O2
title: InChI=1S/C20H16Cl2O2/c1-23-19-8-6-15(21)11-17(19)13-4-3-5-14(10-13)18-12-16(22)7-9-20(18)24-2/h3-12H,1-2H3

description: This dataset contains experimental data from a sample (4-chloro-2-[3-(5-chloro-2-methoxyphenyl)phenyl]-1-methoxybenzene, InChI=1S/C20H16Cl2O2/c1-23-19-8-6-15(21)11-17(19)13-4-3-5-14(10-13)18-12-16(22)7-9-20(18)24-2/h3-12H,1-2H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/czkkuzhotvrkpr-uhfffaoysa-m.1
title: C20H19IN2O4
title: InChI=1S/C20H19N2O4.HI/c1-21-10-11-22(13-21)18-12-16(20(24)26-3)8-9-17(18)14-4-6-15(7-5-14)19(23)25-2;/h4-13H,1-3H3;1H/q+1;/p-1

description: This dataset contains experimental data from a sample (methyl 4-(4-methoxycarbonylphenyl)-3-(3-methylimidazol-3-ium-1-yl)benzoate;iodide, InChI=1S/C20H19N2O4.HI/c1-21-10-11-22(13-21)18-12-16(20(24)26-3)8-9-17(18)14-4-6-15(7-5-14)19(23)25-2;/h4-13H,1-3H3;1H/q+1;/p-1). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/czkkuzhotvrkpr-uhfffaoysa-m/ir
title: infrared absorption spectroscopy (IR) (methyl 4-(4-methoxycarbonylphenyl)-3-(3-methylimidazol-3-ium-1-yl)benzoate;iodide)
title: InChI=1S/C20H19N2O4.HI/c1-21-10-11-22(13-21)18-12-16(20(24)26-3)8-9-17(18)14-4-6-15(7-5-14)19(23)25-2;/h4-13H,1-3H3;1H/q+1;/p-1

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3020, 2948, 2360, 1717, 1608, 1575, 1551, 1438, 1385, 1282, 1272, 1245, 1208, 1181, 1105, 1084, 1069, 990, 874, 849, 762, 745, 705, 684, 646, 611, 385 cm–1.
DOI: 10.14272/ivjsfxwugvwhlt-uhfffaoysa-n.1
title: 2-[tert-butyl(diphenyl)silyl]oxyethanamine
title: InChI=1S/C18H25NOSi/c1-18(2,3)21(20-15-14-19,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,14-15,19H2,1-3H3

description: This dataset contains experimental data from a sample (2-[tert-butyl(diphenyl)silyl]oxyethanamine, InChI=1S/C18H25NOSi/c1-18(2,3)21(20-15-14-19,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,14-15,19H2,1-3H3).
      The datasets from the following experiments are available:
      
      IR
DOI: 10.14272/ivjsfxwugvwhlt-uhfffaoysa-n/ir
title: IR (2-[tert-butyl(diphenyl)silyl]oxyethanamine, InChI=1S/C18H25NOSi/c1-18(2,3)21(20-15-14-19,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,14-15,19H2,1-3H3)

description: dataset for IR
      
      IR (ATR, ṽ) = 3071, 2929, 2856, 2364, 1588, 1472, 1426, 1390, 1361, 1187, 1108, 1051, 1007, 908, 822, 737, 701, 613, 504, 428 cm–1.
DOI: 10.14272/mxmaxvnqpzjohu-uhfffaoysa-n.1
title: C16H14BBrF3K
title: InChI=1S/C16H14BBrF3.K/c18-16-10-12-2-6-13-5-1-11(3-7-14(16)8-4-12)9-15(13)17(19,20)21;/h1,4-5,8-10H,2-3,6-7H2;/q-1;+1

description: This dataset contains experimental data from a sample (potassium;(11-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl)-trifluoroboranuide, InChI=1S/C16H14BBrF3.K/c18-16-10-12-2-6-13-5-1-11(3-7-14(16)8-4-12)9-15(13)17(19,20)21;/h1,4-5,8-10H,2-3,6-7H2;/q-1;+1). The datasets from the following experiments are available: infrared absorption spectroscopy (IR)
DOI: 10.14272/mxmaxvnqpzjohu-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (potassium;(11-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl)-trifluoroboranuide)
title: InChI=1S/C16H14BBrF3.K/c18-16-10-12-2-6-13-5-1-11(3-7-14(16)8-4-12)9-15(13)17(19,20)21;/h1,4-5,8-10H,2-3,6-7H2;/q-1;+1

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3037, 2929, 2891, 2850, 2361, 2342, 1734, 1700, 1687, 1629, 1587, 1541, 1476, 1453, 1434, 1391, 1251, 1228, 1200, 1187, 1152, 1128, 1098, 1021, 967, 952, 938, 909, 887, 867, 823, 789, 765, 738, 705, 669, 652, 618, 608, 554, 523, 504, 482, 475, 460, 419, 407, 398, 385 cm–1.
DOI: 10.14272/prsbpbsoddxakw-uhfffaoysa-n.1
title: 2-(4-phenylmethoxyphenyl)-1,3-dithiane
title: InChI=1S/C17H18OS2/c1-2-5-14(6-3-1)13-18-16-9-7-15(8-10-16)17-19-11-4-12-20-17/h1-3,5-10,17H,4,11-13H2

description: This dataset contains experimental data from a sample (2-(4-phenylmethoxyphenyl)-1,3-dithiane, InChI=1S/C17H18OS2/c1-2-5-14(6-3-1)13-18-16-9-7-15(8-10-16)17-19-11-4-12-20-17/h1-3,5-10,17H,4,11-13H2).
      The datasets from the following experiments are available:
      
      IR