cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/uiupxpaouncbnr-uhfffaoysa-n/ir.1
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C25H23N3O/c1-29-23-14-12-22(13-15-23)28-25(17-26-27-28)24-16-20-7-6-18-2-4-19(5-3-18)8-10-21(24)11-9-20/h2-5,9,11-17H,6-8,10H2,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3067, 3003, 2965, 2951, 2927, 2854, 2832, 1612, 1592, 1514, 1476, 1460, 1442, 1435, 1418, 1312, 1300, 1251, 1230, 1207, 1181, 1170, 1156, 1135, 1119, 1111, 1099, 1086, 1054, 1031, 1016, 1001, 972, 958, 938, 919, 907, 884, 829, 792, 724, 710, 684, 676, 643, 619, 585, 552, 523, 511, 490, 465, 429, 414, 375 cm–1.
DOI: 10.14272/uiupxpaouncbnr-uhfffaoysa-n/mass.1
title: mass spectrometry (MS) ()
title: InChI=1S/C25H23N3O/c1-29-23-14-12-22(13-15-23)28-25(17-26-27-28)24-16-20-7-6-18-2-4-19(5-3-18)8-10-21(24)11-9-20/h2-5,9,11-17H,6-8,10H2,1H3

description: dataset for mass spectrometry (MS) MS (FAB, Matrix: 3-NBA), m/z (%): 382 (100), 278 (17), 154 (18), 136 (15), 95 (14). HRMS (C25H24ON3): Calcd 382.1919, Found 382.1918.
DOI: 10.18419/darus-621/60
title: LIFES50plus_25d0.wnd

description: :unav
DOI: 10.14272/qhkttyodslfkbo-uhfffaoysa-n/13cnmr.1
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1-(4-fluorophenyl)-5-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)triazole)
title: InChI=1S/C24H20FN3/c25-21-11-13-22(14-12-21)28-24(16-26-27-28)23-15-19-6-5-17-1-3-18(4-2-17)7-9-20(23)10-8-19/h1-4,8,10-16H,5-7,9H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3, ppm) δ = 162.5 (d, J = 249.0 Hz), 140.9, 139.6, 139.4, 138.8, 138.6, 135.7, 135.34, 133.7, 133.6, 133.4, 133.0 (d, J = 3.4 Hz), 132.6, 132.4, 129.6, 126.4, 126.4 (d, J = 8.6 Hz, 2C), 116.1 (d, J = 23.1 Hz, 2C), 35.5, 35.2, 35.0, 33.6.
DOI: 10.14272/qhkttyodslfkbo-uhfffaoysa-n/1hnmr.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1-(4-fluorophenyl)-5-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)triazole)
title: InChI=1S/C24H20FN3/c25-21-11-13-22(14-12-21)28-24(16-26-27-28)23-15-19-6-5-17-1-3-18(4-2-17)7-9-20(23)10-8-19/h1-4,8,10-16H,5-7,9H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 8.04 (s, 1H), 7.19–7.12 (m, 2H), 7.03–6.93 (m, 2H), 6.67–6.45 (m, 6H), 6.39–6.36 (m, 1H), 3.19–3.02 (m, 4H), 2.83–2.71 (m, 2H), 2.55–2.38 (m, 2H).residues of water and grease
DOI: 10.14272/qhkttyodslfkbo-uhfffaoysa-n/mass.1
title: mass spectrometry (MS) (1-(4-fluorophenyl)-5-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)triazole)
title: InChI=1S/C24H20FN3/c25-21-11-13-22(14-12-21)28-24(16-26-27-28)23-15-19-6-5-17-1-3-18(4-2-17)7-9-20(23)10-8-19/h1-4,8,10-16H,5-7,9H2

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 130 °C): 369 (41), 341 (18), 237 (100), 222 (14), 115 (39), 104 (65).HRMS (C24H20N3F): Calcd 369.1641, Found 369.1642.
DOI: 10.14272/jkqhpbprtzlgqk-cpnjwejpsa-n.2
title: C18H19NO
title: InChI=1S/C18H19NO/c1-20-19-13-18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-13H,6-8,10H2,1H3/b19-13+

description: This dataset contains experimental data from a sample (InChI=1S/C18H19NO/c1-20-19-13-18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-13H,6-8,10H2,1H3/b19-13+). The datasets from the following experiments are available: infrared absorption spectroscopy (IR) mass spectrometry (MS) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/jkqhpbprtzlgqk-cpnjwejpsa-n/13cnmr.1
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C18H19NO/c1-20-19-13-18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-13H,6-8,10H2,1H3/b19-13+

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3, ppm) δ = 148.0, 140.3, 139.5, 139.4, 139.3, 135.4, 134.0, 133.2, 133.0, 132.3, 132.1 (2C), 131.0, 62.1, 35.5, 35.2, 35.0, 34.1.
DOI: 10.14272/jkqhpbprtzlgqk-cpnjwejpsa-n/1hnmr.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C18H19NO/c1-20-19-13-18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-13H,6-8,10H2,1H3/b19-13+

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 8.10 (s, 1H), 6.80–6.79 (m, 1H), 6.67–6.44 (m, 6H), 4.05 (s, 3H), 3.63 (ddd, J = 13.5 Hz, J = 9.9 Hz, J = 1.9 Hz, 1H), 3.23–2.94 (m, 6H), 2.87 (ddd, J = 13.4 Hz, J = 10.3 Hz, J = 6.7 Hz, 1H).residues of H2O and cyclohexane
DOI: 10.14272/jkqhpbprtzlgqk-cpnjwejpsa-n/ir.1
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C18H19NO/c1-20-19-13-18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-13H,6-8,10H2,1H3/b19-13+

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2990, 2952, 2927, 2891, 2850, 2812, 1592, 1554, 1499, 1449, 1435, 1411, 1346, 1320, 1286, 1231, 1205, 1184, 1159, 1116, 1091, 1052, 972, 955, 939, 904, 874, 798, 764, 718, 696, 652, 643, 635, 584, 547, 528, 514, 492, 465, 398, 382 cm–1.
DOI: 10.14272/qhkttyodslfkbo-uhfffaoysa-n.2
title: C24H20FN3
title: InChI=1S/C24H20FN3/c25-21-11-13-22(14-12-21)28-24(16-26-27-28)23-15-19-6-5-17-1-3-18(4-2-17)7-9-20(23)10-8-19/h1-4,8,10-16H,5-7,9H2

description: This dataset contains experimental data from a sample (1-(4-fluorophenyl)-5-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)triazole, InChI=1S/C24H20FN3/c25-21-11-13-22(14-12-21)28-24(16-26-27-28)23-15-19-6-5-17-1-3-18(4-2-17)7-9-20(23)10-8-19/h1-4,8,10-16H,5-7,9H2). The datasets from the following experiments are available: infrared absorption spectroscopy (IR) 1H nuclear magnetic resonance spectroscopy (1H NMR) process 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS)
DOI: 10.14272/qhkttyodslfkbo-uhfffaoysa-n/others.1
title: process (1-(4-fluorophenyl)-5-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)triazole)
title: InChI=1S/C24H20FN3/c25-21-11-13-22(14-12-21)28-24(16-26-27-28)23-15-19-6-5-17-1-3-18(4-2-17)7-9-20(23)10-8-19/h1-4,8,10-16H,5-7,9H2

description: dataset for process 19F NMR (400 MHz, CDCl3, ppm) δ = -112.03.
DOI: 10.18419/darus-621/61
title: LIFES50plus_5d0.inp

description: :unav
DOI: 10.14272/jkqhpbprtzlgqk-cpnjwejpsa-n/mass.1
title: mass spectrometry (MS) ()
title: InChI=1S/C18H19NO/c1-20-19-13-18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-13H,6-8,10H2,1H3/b19-13+

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 30 °C): 265 (23), 160 (52), 130 (100), 104 (51), 77 (24). HRMS (C18H19ON): Calcd 265.1467, Found 265.1467.
DOI: 10.14272/vqegcjlhlbtwrf-udwieesqsa-n.1
title: C18H18BrNO
title: InChI=1S/C18H18BrNO/c1-21-20-12-17-15-8-6-13-2-4-14(5-3-13)7-9-16(11-10-15)18(17)19/h2-5,10-12H,6-9H2,1H3/b20-12+

description: This dataset contains experimental data from a sample (InChI=1S/C18H18BrNO/c1-21-20-12-17-15-8-6-13-2-4-14(5-3-13)7-9-16(11-10-15)18(17)19/h2-5,10-12H,6-9H2,1H3/b20-12+). The datasets from the following experiments are available: infrared absorption spectroscopy (IR) mass spectrometry (MS) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.18419/darus-621/62
title: LIFES50plus_5d0.sum

description: :unav
DOI: 10.14272/baibhohksyvvcm-uhfffaoysa-n.2
title: C17H16O
title: InChI=1S/C17H16O/c18-12-17-11-15-6-5-13-1-3-14(4-2-13)7-9-16(17)10-8-15/h1-4,8,10-12H,5-7,9H2

description: This dataset contains experimental data from a sample (tricyclo[8.2.2.2^{4,7}]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbaldehyde, InChI=1S/C17H16O/c18-12-17-11-15-6-5-13-1-3-14(4-2-13)7-9-16(17)10-8-15/h1-4,8,10-12H,5-7,9H2). The datasets from the following experiments are available: infrared absorption spectroscopy (IR) mass spectrometry (MS) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/baibhohksyvvcm-uhfffaoysa-n/13cnmr.1
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (tricyclo[8.2.2.2^{4,7}]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbaldehyde)
title: InChI=1S/C17H16O/c18-12-17-11-15-6-5-13-1-3-14(4-2-13)7-9-16(17)10-8-15/h1-4,8,10-12H,5-7,9H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3 ppm) δ = 192.1, 143.4, 140.8, 139.7, 139.6, 138.2, 136.8, 136.5, 136.3, 133.4, 133.1, 132.5, 132.3, 35.4, 35.3, 35.2, 33.8.
DOI: 10.14272/vqegcjlhlbtwrf-udwieesqsa-n
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C18H18BrNO/c1-21-20-12-17-15-8-6-13-2-4-14(5-3-13)7-9-16(11-10-15)18(17)19/h2-5,10-12H,6-9H2,1H3/b20-12+

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 8.15 (s, 1H), 7.00–6.93 (m, 1H), 6.63–6.47 (m, 5H), 4.03 (s, 3H), 3.86 (ddd, J = 12.8 Hz, J = 9.5 Hz, J = 2.9 Hz, 1H), 3.49 (ddd, J = 13.1 Hz, J = 10.1 Hz, J = 2.6 Hz, 1H), 3.20–3.01 (m, 4H), 2.85 (ddt, J = 13.1 Hz, J = 10.4 Hz, J = 5.8 Hz, 2H).residues of H2O
DOI: 10.14272/vqegcjlhlbtwrf-udwieesqsa-n/13cnmr
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C18H18BrNO/c1-21-20-12-17-15-8-6-13-2-4-14(5-3-13)7-9-16(11-10-15)18(17)19/h2-5,10-12H,6-9H2,1H3/b20-12+

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3, ppm) δ = 149.8, 141.7, 140.0, 139.6, 139.0, 134.9, 134.1, 133.4, 133.0, 131.7, 130.1, 129.5, 128.4, 62.3, 36.1, 35.0, 34.5, 33.3.
DOI: 10.14272/vqegcjlhlbtwrf-udwieesqsa-n/ir
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C18H18BrNO/c1-21-20-12-17-15-8-6-13-2-4-14(5-3-13)7-9-16(11-10-15)18(17)19/h2-5,10-12H,6-9H2,1H3/b20-12+

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3063, 3027, 3002, 2983, 2921, 2891, 2849, 2813, 1894, 1594, 1572, 1541, 1497, 1446, 1438, 1424, 1409, 1392, 1333, 1316, 1239, 1200, 1180, 1166, 1119, 1095, 1048, 982, 942, 916, 898, 890, 877, 836, 799, 742, 717, 671, 646, 584, 564, 547, 516, 494, 469, 433, 407, 385 cm–1.
DOI: 10.14272/vqegcjlhlbtwrf-udwieesqsa-n/mass
title: mass spectrometry (MS) ()
title: InChI=1S/C18H18BrNO/c1-21-20-12-17-15-8-6-13-2-4-14(5-3-13)7-9-16(11-10-15)18(17)19/h2-5,10-12H,6-9H2,1H3/b20-12+

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 70 °C): 343/345 (49/49), 312/314 (16/16), 239/241 (23/22), 238/240 (58/62), 208/210 (87/87), 160 (12), 129 (32), 104 (100), 78 (25).HRMS (C18H18ONBr): Calcd 343.0572, Found 343.0571.
DOI: 10.14272/baibhohksyvvcm-uhfffaoysa-n/1hnmr.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (tricyclo[8.2.2.2^{4,7}]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbaldehyde)
title: InChI=1S/C17H16O/c18-12-17-11-15-6-5-13-1-3-14(4-2-13)7-9-16(17)10-8-15/h1-4,8,10-12H,5-7,9H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 9.95 (s, 1H), 7.02–7.01 (m, 1H), 6.77–6.69 (m, 1H), 6.63–6.32 (m, 5H), 4.11 (ddd, J = 13.0 Hz, J = 9.9 Hz, J = 1.8 Hz, 1H), 3.26 (ddd, J = 14.8 Hz, J = 11.4 Hz, J = 2.7 Hz, 1H), 3.22–3.00 (m, 5H), 2.95 (ddd, J = 13.1 Hz, J = 10.1 Hz, J = 6.7 Hz, 1H). Spectrum contains residues of H2O
DOI: 10.14272/baibhohksyvvcm-uhfffaoysa-n/ir.1
title: infrared absorption spectroscopy (IR) (tricyclo[8.2.2.2^{4,7}]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbaldehyde)
title: InChI=1S/C17H16O/c18-12-17-11-15-6-5-13-1-3-14(4-2-13)7-9-16(17)10-8-15/h1-4,8,10-12H,5-7,9H2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3033, 3012, 2956, 2922, 2890, 2850, 2758, 1676, 1589, 1554, 1496, 1489, 1448, 1436, 1411, 1285, 1227, 1207, 1180, 1160, 1145, 1116, 1102, 1006, 976, 963, 936, 909, 874, 796, 773, 742, 718, 701, 657, 636, 622, 577, 572, 517, 497, 462, 452, 433, 390 cm–1.
DOI: 10.14272/baibhohksyvvcm-uhfffaoysa-n/mass.1
title: mass spectrometry (MS) (tricyclo[8.2.2.2^{4,7}]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbaldehyde)
title: InChI=1S/C17H16O/c18-12-17-11-15-6-5-13-1-3-14(4-2-13)7-9-16(17)10-8-15/h1-4,8,10-12H,5-7,9H2

description: dataset for mass spectrometry (MS) APCI-MS (m/z): 430 (26), 326 (32), 237 (100) [M+1]+, 163 (17).HRMS (C17H16O): Calcd 236.1201, Found 236.1190.
DOI: 10.14272/jkqhpbprtzlgqk-cpnjwejpsa-n.1
title: C18H19NO
title: InChI=1S/C18H19NO/c1-20-19-13-18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-13H,6-8,10H2,1H3/b19-13+

description: This dataset contains experimental data from a sample (InChI=1S/C18H19NO/c1-20-19-13-18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-13H,6-8,10H2,1H3/b19-13+). The datasets from the following experiments are available: infrared absorption spectroscopy (IR) mass spectrometry (MS) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/jkqhpbprtzlgqk-cpnjwejpsa-n/13cnmr
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C18H19NO/c1-20-19-13-18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-13H,6-8,10H2,1H3/b19-13+

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3, ppm) δ = 148.1, 140.3, 139.5, 139.4, 139.3, 135.5, 134.0, 133.3, 133.0, 132.3, 132.1 (2C), 131.0, 62.1, 35.5, 35.2, 34.0, 34.1.
DOI: 10.14272/jkqhpbprtzlgqk-cpnjwejpsa-n/ir
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C18H19NO/c1-20-19-13-18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-13H,6-8,10H2,1H3/b19-13+

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2987, 2952, 2925, 2890, 2849, 2812, 1902, 1589, 1554, 1499, 1465, 1449, 1435, 1424, 1411, 1353, 1346, 1320, 1286, 1228, 1204, 1183, 1157, 1150, 1118, 1095, 1052, 973, 955, 938, 904, 873, 832, 816, 798, 764, 718, 696, 652, 643, 635, 584, 547, 528, 514, 490, 463, 399 cm–1.
DOI: 10.18419/darus-621/63
title: LIFES50plus_5d0.wnd

description: :unav
DOI: 10.14272/hotmmjrjohglrs-uhfffaoysa-n
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (6-bromotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbaldehyde)
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: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 10.09 (s, 1H), 7.00–6.92 (m, 1H), 6.70–6.56 (m, 3H), 6.52–6.44 (m, 1H), 6.43–6.35 (m, 1H), 3.92 (ddd, J = 12.5 Hz, J = 9.1 Hz, J = 3.1 Hz, 1H), 3.58 (ddd, J = 13.2 Hz, J = 10.3 Hz, J = 2.6 Hz, 1H), 3.26–3.10 (m, 3H), 3.08 (ddd, J = 13.2 Hz, J = 10.6 Hz, J = 2.6 Hz, 1H), 2.86 (dddd, J = 26.7 Hz, J = 12.8 Hz, J = 10.1 Hz, J = 6.2 Hz, 2H).residues of H2O and cyclohexane
DOI: 10.14272/hotmmjrjohglrs-uhfffaoysa-n.1
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: infrared absorption spectroscopy (IR) mass spectrometry (MS) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/hotmmjrjohglrs-uhfffaoysa-n/13cnmr
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (6-bromotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbaldehyde)
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: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3, ppm) δ = 194.2, 144.9, 140.8, 139.8, 139.1, 138.6, 134.5, 134.2, 133.5, 132.9, 132.1, 131.2, 128.7, 35.3, 34.7, 34.5, 33.3.
DOI: 10.14272/hotmmjrjohglrs-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (6-bromotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbaldehyde)
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: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3007, 2935, 2921, 2891, 2847, 2796, 2765, 1900, 1686, 1594, 1571, 1533, 1497, 1455, 1434, 1407, 1368, 1320, 1259, 1244, 1225, 1193, 1174, 1163, 1118, 1095, 1054, 993, 972, 949, 943, 932, 892, 871, 839, 799, 769, 732, 714, 666, 653, 578, 538, 514, 490, 476, 448, 397 cm–1.
DOI: 10.14272/hotmmjrjohglrs-uhfffaoysa-n/mass
title: mass spectrometry (MS) (6-bromotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbaldehyde)
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: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 50 °C): 314/316 (25/25), 235 (11), 104 (100), 78 (10). HRMS (C17H15OBr): Calcd 314.0306, Found 314.0307.
DOI: 10.14272/jkqhpbprtzlgqk-cpnjwejpsa-n/1hnmr
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C18H19NO/c1-20-19-13-18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-13H,6-8,10H2,1H3/b19-13+

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 8.09 (s, 1H), 6.79–6.78 (m, 1H), 6.67–6.44 (m, 6H), 4.04 (s, 3H), 3.62 (ddd, J = 13.5 Hz, J = 9.9 Hz, J = 1.8 Hz, 1H), 3.22–2.94 (m, 6H), 2.87 (ddd, J = 13.5 Hz, J = 10.3 Hz, J = 6.7 Hz, 1H).residues of H2O and cyclohexane
DOI: 10.14272/jkqhpbprtzlgqk-cpnjwejpsa-n/mass
title: mass spectrometry (MS) ()
title: InChI=1S/C18H19NO/c1-20-19-13-18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-13H,6-8,10H2,1H3/b19-13+

description: dataset for mass spectrometry (MS) APCI-MS (m/z): 266 (100) [M+1]+, 163 (74), 147 (24), 121 (16).HRMS (C18H19NO): Calcd 265.1467, Found 265.1454.
DOI: 10.14272/uiupxpaouncbnr-uhfffaoysa-n.1
title: C25H23N3O
title: InChI=1S/C25H23N3O/c1-29-23-14-12-22(13-15-23)28-25(17-26-27-28)24-16-20-7-6-18-2-4-19(5-3-18)8-10-21(24)11-9-20/h2-5,9,11-17H,6-8,10H2,1H3

description: This dataset contains experimental data from a sample (InChI=1S/C25H23N3O/c1-29-23-14-12-22(13-15-23)28-25(17-26-27-28)24-16-20-7-6-18-2-4-19(5-3-18)8-10-21(24)11-9-20/h2-5,9,11-17H,6-8,10H2,1H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR) mass spectrometry (MS) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/uiupxpaouncbnr-uhfffaoysa-n/13cnmr
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C25H23N3O/c1-29-23-14-12-22(13-15-23)28-25(17-26-27-28)24-16-20-7-6-18-2-4-19(5-3-18)8-10-21(24)11-9-20/h2-5,9,11-17H,6-8,10H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3, ppm) δ = 159.5, 140.3, 139.4, 139.3, 138.7, 138.2, 135.4, 134.9, 133.3 (2C), 133.2, 132.4, 132.2, 129.7, 129.4, 126.5, 125.6 (2C), 113.9 (2C), 55.3, 35.3, 35.0, 34.7, 33.5.
DOI: 10.14272/uiupxpaouncbnr-uhfffaoysa-n/1hnmr
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C25H23N3O/c1-29-23-14-12-22(13-15-23)28-25(17-26-27-28)24-16-20-7-6-18-2-4-19(5-3-18)8-10-21(24)11-9-20/h2-5,9,11-17H,6-8,10H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 8.01 (s, 1H), 7.11–7.01 (m, 2H), 6.79–6.70 (m, 2H), 6.65–6.52 (m, 4H), 6.52–6.41 (m, 2H), 6.34–6.32 (m, 1H), 3.72 (s, 3H), 3.15–2.95 (m, 4H), 2.73 (td, J = 6.1 Hz, J = 2.2 Hz, 2H), 2.52–2.40 (m, 2H).
DOI: 10.14272/uiupxpaouncbnr-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C25H23N3O/c1-29-23-14-12-22(13-15-23)28-25(17-26-27-28)24-16-20-7-6-18-2-4-19(5-3-18)8-10-21(24)11-9-20/h2-5,9,11-17H,6-8,10H2,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3067, 3033, 3012, 2995, 2956, 2929, 2897, 2859, 2837, 2047, 1881, 1608, 1589, 1511, 1463, 1456, 1441, 1422, 1412, 1392, 1312, 1300, 1247, 1228, 1183, 1169, 1159, 1133, 1111, 1088, 1055, 1030, 1018, 1001, 972, 963, 942, 908, 887, 833, 795, 734, 724, 713, 677, 642, 623, 584, 557, 514, 501, 497, 436, 411, 398, 385 cm–1.
DOI: 10.14272/uiupxpaouncbnr-uhfffaoysa-n/mass
title: mass spectrometry (MS) ()
title: InChI=1S/C25H23N3O/c1-29-23-14-12-22(13-15-23)28-25(17-26-27-28)24-16-20-7-6-18-2-4-19(5-3-18)8-10-21(24)11-9-20/h2-5,9,11-17H,6-8,10H2,1H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 140 °C): 381 (53), 353 (39), 248 (100), 234 (69), 218 (28), 206 (18), 191 (12), 181 (13), 128 (25), 115 (31), 104 (29), 69 (29). HRMS (C25H23ON3): Calcd 381.1841, Found 381.1842.
DOI: 10.5285/9e4a232d-b59c-7e87-e053-6c86abc0f29f
title: Arctic PRIZE mission one recovery glider dataset in the Barents Sea July 2017.

description: This dataset was collected by a slocum glider (unit 306) in the Barents Sea for the Arctic PRIZE project as part of the wider Changing Arctic Ocean programme during July 2017. This was a test mission (Mission one) to investigate the feasability of a longer term study in the region. The glider had a pumped CTD, a Wetlabs triplet ECO puck (CDOM, chla and optical backscatter) an oxygen optode and a PAR sensor. This dataset contains the recovery data from this glider deployment.
DOI: 10.14272/qhkttyodslfkbo-uhfffaoysa-n.1
title: C24H20FN3
title: InChI=1S/C24H20FN3/c25-21-11-13-22(14-12-21)28-24(16-26-27-28)23-15-19-6-5-17-1-3-18(4-2-17)7-9-20(23)10-8-19/h1-4,8,10-16H,5-7,9H2

description: This dataset contains experimental data from a sample (1-(4-fluorophenyl)-5-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)triazole, InChI=1S/C24H20FN3/c25-21-11-13-22(14-12-21)28-24(16-26-27-28)23-15-19-6-5-17-1-3-18(4-2-17)7-9-20(23)10-8-19/h1-4,8,10-16H,5-7,9H2). The datasets from the following experiments are available: infrared absorption spectroscopy (IR) mass spectrometry (MS) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) process
DOI: 10.14272/qhkttyodslfkbo-uhfffaoysa-n/13cnmr
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1-(4-fluorophenyl)-5-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)triazole)
title: InChI=1S/C24H20FN3/c25-21-11-13-22(14-12-21)28-24(16-26-27-28)23-15-19-6-5-17-1-3-18(4-2-17)7-9-20(23)10-8-19/h1-4,8,10-16H,5-7,9H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, ppm) δ = 162.3 (d, J = 249.1 Hz), 140.7, 139.5, 139.2, 138.6, 138.4, 135.5, 135.2, 133.5, 133.4, 133.2, 132.8 (d, J = 3.1 Hz), 132.5, 132.2, 129.5, 126.2 (d, J = 8.7 Hz, 2C), 126.2, 115.9 (d, J = 23.1 Hz, 2C), 35.3, 35.0, 34.8, 33.5.
DOI: 10.14272/qhkttyodslfkbo-uhfffaoysa-n/1hnmr
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1-(4-fluorophenyl)-5-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)triazole)
title: InChI=1S/C24H20FN3/c25-21-11-13-22(14-12-21)28-24(16-26-27-28)23-15-19-6-5-17-1-3-18(4-2-17)7-9-20(23)10-8-19/h1-4,8,10-16H,5-7,9H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 8.04 (s, 1H), 7.19–7.10 (m, 2H), 7.00–6.91 (m, 2H), 6.65–6.53 (m, 4H), 6.54–6.43 (m, 2H), 6.37–6.34 (m, 1H), 3.16–2.98 (m, 4H), 2.83–2.67 (m, 2H), 2.53–2.38 (m, 2H).
DOI: 10.14272/qhkttyodslfkbo-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (1-(4-fluorophenyl)-5-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)triazole)
title: InChI=1S/C24H20FN3/c25-21-11-13-22(14-12-21)28-24(16-26-27-28)23-15-19-6-5-17-1-3-18(4-2-17)7-9-20(23)10-8-19/h1-4,8,10-16H,5-7,9H2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3122, 3075, 3033, 3007, 2963, 2924, 2888, 2850, 1898, 1596, 1507, 1479, 1446, 1438, 1419, 1290, 1265, 1218, 1183, 1154, 1136, 1112, 1106, 1095, 1052, 1007, 972, 956, 941, 899, 841, 816, 798, 722, 711, 698, 680, 642, 619, 586, 552, 518, 497, 490, 425, 388 cm–1.