cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.3662316
title: Global trends of Pseudomonas aeruginosa biofilm research in the past two decades: A bibliometric study

description: This dataset was used to conduct bibliometric and visualised analyses on research relating to Pseudomonas aeruginosa biofilms over the past two decades.
DOI: 10.5281/zenodo.3662317
title: Global trends of Pseudomonas aeruginosa biofilm research in the past two decades: A bibliometric study

description: This dataset was used to conduct bibliometric and visualised analyses on research relating to Pseudomonas aeruginosa biofilms over the past two decades.
DOI: 10.18419/darus-621/20
title: BruteForce_22d1v0_24d0d_4d5h_hpEDFile.dat

description: :unav
DOI: 10.18419/darus-621/21
title: BruteForce_22d1v0_24d0d_4d5h_hpHydroFile.dat

description: :unav
DOI: 10.18419/darus-621/22
title: BruteForce_22d1v0_24d0d_4d5h_hpInflowFile.dat

description: :unav
DOI: 10.18419/darus-621/23
title: BruteForce_25d0v0_24d0d_4d5h_hp.fst

description: :unav
DOI: 10.18419/darus-621/24
title: BruteForce_25d0v0_24d0d_4d5h_hpEDFile.dat

description: :unav
DOI: 10.18419/darus-621/25
title: BruteForce_25d0v0_24d0d_4d5h_hpHydroFile.dat

description: :unav
DOI: 10.18419/darus-621/26
title: BruteForce_25d0v0_24d0d_4d5h_hpInflowFile.dat

description: :unav
DOI: 10.18419/darus-621/27
title: BruteForce_5d0v0_24d0d_4d5h_hp.fst

description: :unav
DOI: 10.18419/darus-621/28
title: BruteForce_5d0v0_24d0d_4d5h_hpEDFile.dat

description: :unav
DOI: 10.18419/darus-621/29
title: BruteForce_5d0v0_24d0d_4d5h_hpHydroFile.dat

description: :unav
DOI: 10.18419/darus-621/30
title: BruteForce_5d0v0_24d0d_4d5h_hpInflowFile.dat

description: :unav
DOI: 10.18419/darus-621/31
title: BruteForce_7d1v0_24d0d_4d5h_hp.fst

description: :unav
DOI: 10.18419/darus-621/32
title: BruteForce_7d1v0_24d0d_4d5h_hpEDFile.dat

description: :unav
DOI: 10.18419/darus-621/33
title: BruteForce_7d1v0_24d0d_4d5h_hpHydroFile.dat

description: :unav
DOI: 10.5281/zenodo.3662301
title: ASPIDE: SERMAS diffusion-weighted image processing use-case

description: This repository contains the outputs of the diffusion-weighted image processing use-case of the ASPIDE project for a single subject. The input files were obtained from the Human Connectome Project (HCP) database. HCP is an open project and the full unprocessed dataset can be obtained from https://db.humanconnectome.org/app/template/Login.vm.
DOI: 10.5281/zenodo.3662302
title: ASPIDE: SERMAS diffusion-weighted image processing use-case

description: This repository contains the outputs of the diffusion-weighted image processing use-case of the ASPIDE project for a single subject. The input files were obtained from the Human Connectome Project (HCP) database. HCP is an open project and the full unprocessed dataset can be obtained from https://db.humanconnectome.org/app/template/Login.vm.
DOI: 10.18419/darus-621/34
title: BruteForce_7d1v0_24d0d_4d5h_hpInflowFile.dat

description: :unav
DOI: 10.18419/darus-621/35
title: DTU10MWFloating_FBSWE_discon.dll

description: :unav
DOI: 10.18419/darus-621/36
title: DTU10MW_CPP_FBSWE_discon.in

description: :unav
DOI: 10.18419/darus-621/37
title: DTU_10MW_ElastoDyn_Blades.dat

description: :unav
DOI: 10.18419/darus-621/38
title: DTU_10MW_ElastoDyn_Mod_Tower_v2.dat

description: :unav
DOI: 10.18419/darus-621/39
title: DTU_10MW_exe_ServoDyn.dat

description: :unav
DOI: 10.18419/darus-621/40
title: DTU_10MW_RWT_AeroDyn.dat

description: :unav
DOI: 10.18419/darus-621/41
title: DTU_10MW_RWT_Optimization_MoorDyn_MAP.dat

description: :unav
DOI: 10.18419/darus-621/42
title: BruteForce_24d0d_4d5h_hp.1

description: :unav
DOI: 10.18419/darus-621/43
title: BruteForce_24d0d_4d5h_hp.3

description: :unav
DOI: 10.18419/darus-621/44
title: BruteForce_24d0d_4d5h_hp.9

description: :unav
DOI: 10.18419/darus-621/45
title: BruteForce_24d0d_4d5h_hp.hst

description: :unav
DOI: 10.18419/darus-621/46
title: LIFES50plus_10d3.inp

description: :unav
DOI: 10.18419/darus-621/47
title: LIFES50plus_10d3.sum

description: :unav
DOI: 10.18419/darus-621/48
title: LIFES50plus_10d3.wnd

description: :unav
DOI: 10.18419/darus-621/49
title: LIFES50plus_13d9.inp

description: :unav
DOI: 10.14284/399
title: Flatfish reflex scores based on video clips

description: During seven dedicated workshops, 436 participants scored 36 short video clips of common sole (Solea solea) reflex tests.
description: From a reference library of short video clips, a scoring video was edited to quantify the condition of commercially beam-trawled common sole (Solea solea) by scoring their reflex responsiveness to stimuli on a tagged, analogue continuous scale (tVAS). During seven dedicated workshops, 436 participants scored 36 clips.
DOI: 10.18419/darus-621/50
title: LIFES50plus_13d9.sum

description: :unav
DOI: 10.18419/darus-621/51
title: LIFES50plus_13d9.wnd

description: :unav
DOI: 10.18419/darus-621/52
title: LIFES50plus_17d9.inp

description: :unav
DOI: 10.18419/darus-621/53
title: LIFES50plus_17d9.sum

description: :unav
DOI: 10.18419/darus-621/54
title: LIFES50plus_17d9.wnd

description: :unav
DOI: 10.18419/darus-621/55
title: LIFES50plus_22d1.inp

description: :unav
DOI: 10.18419/darus-621/56
title: LIFES50plus_22d1.sum

description: :unav
DOI: 10.14272/wqflltdmtnware-uhfffaoysa-n.2
title: C25H23N3
title: InChI=1S/C25H23N3/c1-18-2-14-23(15-3-18)28-25(17-26-27-28)24-16-21-9-8-19-4-6-20(7-5-19)10-12-22(24)13-11-21/h2-7,11,13-17H,8-10,12H2,1H3

description: This dataset contains experimental data from a sample (InChI=1S/C25H23N3/c1-18-2-14-23(15-3-18)28-25(17-26-27-28)24-16-21-9-8-19-4-6-20(7-5-19)10-12-22(24)13-11-21/h2-7,11,13-17H,8-10,12H2,1H3). 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/wqflltdmtnware-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C25H23N3/c1-18-2-14-23(15-3-18)28-25(17-26-27-28)24-16-21-9-8-19-4-6-20(7-5-19)10-12-22(24)13-11-21/h2-7,11,13-17H,8-10,12H2,1H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 120 °C): 365 (37), 337 (28), 232 (100), 218 (46), 205 (13), 181 (15), 131 (13), 119 (11), 115 (33), 104 (28), 69 (34).HRMS (C25H23N3): Calcd 365.1892, Found 365.1890.
DOI: 10.14272/wqflltdmtnware-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C25H23N3/c1-18-2-14-23(15-3-18)28-25(17-26-27-28)24-16-21-9-8-19-4-6-20(7-5-19)10-12-22(24)13-11-21/h2-7,11,13-17H,8-10,12H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, ppm) δ = 8.03 (s, 1H), 7.11–7.01 (m, 4H), 6.71–6.53 (m, 4H), 6.54–6.44 (m, 2H), 6.37–6.34 (m, 1H), 3.19–3.00 (m, 4H), 2.80–2.72 (m, 2H), 2.52–2.42 (m, 2H), 2.32 (s, 3H). The spectrum contains residues of H2O and cyclohexane.
DOI: 10.14272/wqflltdmtnware-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C25H23N3/c1-18-2-14-23(15-3-18)28-25(17-26-27-28)24-16-21-9-8-19-4-6-20(7-5-19)10-12-22(24)13-11-21/h2-7,11,13-17H,8-10,12H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3, ppm) δ = 21.0, 33.5, 34.7, 35.0, 35.3, 124.1 (2C), 126.6, 129.4 (3C), 132.1, 132.4, 133.1, 133.3, 133.4, 134.2, 134.9, 135.4, 138.2, 138.6, 138.7, 139.3, 139.4, 140.4. The spectrum contains residues of cyclohexane.
DOI: 10.14272/wqflltdmtnware-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C25H23N3/c1-18-2-14-23(15-3-18)28-25(17-26-27-28)24-16-21-9-8-19-4-6-20(7-5-19)10-12-22(24)13-11-21/h2-7,11,13-17H,8-10,12H2,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3135, 3067, 3041, 3033, 3012, 2961, 2928, 2897, 2856, 1592, 1514, 1503, 1473, 1456, 1438, 1422, 1412, 1392, 1380, 1320, 1312, 1282, 1255, 1230, 1205, 1177, 1159, 1133, 1111, 1086, 1052, 1006, 972, 942, 908, 887, 841, 833, 817, 793, 735, 724, 713, 677, 645, 619, 584, 555, 516, 494, 436, 415, 398 cm–1.
DOI: 10.18419/darus-621/57
title: LIFES50plus_22d1.wnd

description: :unav
DOI: 10.14272/vqegcjlhlbtwrf-udwieesqsa-n.2
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: 10.14272/vqegcjlhlbtwrf-udwieesqsa-n/chmo0000470
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, 50 °C): 343/345 (12/13), 314/316 (21/18), 265 (31), 238/240 (13/13), 208/210 (18/22), 160 (30), 130 (52), 103/105 (27/27), 104 (100), 78 (14). HRMS (C18H18ONBr): Calcd 343.0572, Found 343.0571.
DOI: 10.14272/vqegcjlhlbtwrf-udwieesqsa-n/chmo0000593
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 = 8.17 (s, 1H), 7.02–6.93 (m, 1H), 6.65–6.46 (m, 5H), 4.05 (s, 3H), 3.92–3.84 (m, 1H), 3.50 (ddd, J = 13.1 Hz, J = 10.1 Hz, J = 2.5 Hz, 1H), 3.21–3.02 (m, 4H), 2.93–2.79 (m, 2H). The spectrum contains residues of cyclohexane and ca. 10% unknown impurities.
DOI: 10.14272/vqegcjlhlbtwrf-udwieesqsa-n/chmo0000595
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, 141.6, 139.9, 139.6, 139.0, 134.9, 134.1, 133.4, 133.0, 131.7, 130.1, 129.5, 128.4, 62.3, 36.0, 35.0, 34.5, 33.3. The spectrum contains residues of cyclohexane.
DOI: 10.14272/vqegcjlhlbtwrf-udwieesqsa-n/chmo0000630
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, 3029, 3002, 2985, 2921, 2891, 2849, 2813, 1894, 1686, 1592, 1572, 1541, 1497, 1446, 1438, 1424, 1409, 1392, 1333, 1316, 1239, 1200, 1180, 1166, 1119, 1095, 1048, 982, 938, 915, 899, 891, 877, 837, 799, 769, 742, 717, 671, 646, 582, 564, 545, 516, 493, 469, 433, 405, 385, 378 cm–1.
DOI: 10.18419/darus-621/58
title: LIFES50plus_25d0.inp

description: :unav
DOI: 10.14272/baibhohksyvvcm-uhfffaoysa-n/1hnmr.2
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), 7.01 (d, J = 1.9 Hz, 1H), 6.76–6.68 (m, 1H), 6.62–6.54 (m, 2H), 6.53–6.46 (m, 1H), 6.45–6.35 (m, 2H), 4.11 (ddd, J = 13.1 Hz, J = 9.8 Hz, J = 1.8 Hz, 1H), 3.31 – 3.00 (m, 6H), 2.95 (ddd, J = 13.1 Hz, J = 10.2 Hz, J = 6.7 Hz, 1H).residues of H2O
DOI: 10.14272/vxuudtwougaroa-uhfffaoysa-n.1
title: C25H23N3
title: InChI=1S/C25H23N3/c1-2-4-22(5-3-1)18-28-25(17-26-27-28)24-16-21-11-10-19-6-8-20(9-7-19)12-14-23(24)15-13-21/h1-9,13,15-17H,10-12,14,18H2

description: This dataset contains experimental data from a sample (InChI=1S/C25H23N3/c1-2-4-22(5-3-1)18-28-25(17-26-27-28)24-16-21-11-10-19-6-8-20(9-7-19)12-14-23(24)15-13-21/h1-9,13,15-17H,10-12,14,18H2). 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/vxuudtwougaroa-uhfffaoysa-n/13cnmr
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C25H23N3/c1-2-4-22(5-3-1)18-28-25(17-26-27-28)24-16-21-11-10-19-6-8-20(9-7-19)12-14-23(24)15-13-21/h1-9,13,15-17H,10-12,14,18H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3, ppm) δ = 140.7, 139.5, 139.1, 138.3, 138.2, 135.4, 135.1, 134.9, 133.8, 133.3, 132.9, 132.5, 132.3, 129.8, 128.4 (2C), 128.0, 127.7 (2C), 126.5, 51.6, 35.3, 35.0, 34.9, 33.4.
DOI: 10.14272/vxuudtwougaroa-uhfffaoysa-n/1hnmr
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C25H23N3/c1-2-4-22(5-3-1)18-28-25(17-26-27-28)24-16-21-11-10-19-6-8-20(9-7-19)12-14-23(24)15-13-21/h1-9,13,15-17H,10-12,14,18H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 8.07 (s, 1H), 7.30–7.19 (m, 2H), 7.05–6.96 (m, 2H), 6.82–6.66 (m, 6H), 6.61–6.53 (m, 1H), 6.47 (d, J = 1.8 Hz, 1H), 5.41 (dd, J = 14.8 Hz, J = 26.1 Hz, 2H), 3.27–3.16 (m, 3H), 3.14–3.06 (m, 1H), 3.03–2.93 (m, 3H), 2.82–2.71 (m, 1H).
DOI: 10.14272/vxuudtwougaroa-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C25H23N3/c1-2-4-22(5-3-1)18-28-25(17-26-27-28)24-16-21-11-10-19-6-8-20(9-7-19)12-14-23(24)15-13-21/h1-9,13,15-17H,10-12,14,18H2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2956, 2928, 2893, 2850, 1596, 1545, 1494, 1477, 1453, 1432, 1411, 1397, 1354, 1278, 1235, 1217, 1197, 1184, 1167, 1129, 1112, 1101, 1074, 1035, 976, 943, 905, 901, 829, 795, 727, 720, 707, 696, 671, 645, 594, 581, 520, 496, 469, 385 cm–1.
DOI: 10.14272/vxuudtwougaroa-uhfffaoysa-n/mass
title: mass spectrometry (MS) ()
title: InChI=1S/C25H23N3/c1-2-4-22(5-3-1)18-28-25(17-26-27-28)24-16-21-11-10-19-6-8-20(9-7-19)12-14-23(24)15-13-21/h1-9,13,15-17H,10-12,14,18H2

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 110 °C) (%): 365 (34), 246 (17), 232 (25), 193 (14), 181 (22), 169 (11), 142 (35), 129 (27), 115 (18), 104 (71), 91 (100), 84 (40), 77 (22), 69 (55), 57 (28). HRMS (C25H23N3): Calcd 365.1892, Found 365.1892.
DOI: 10.14272/baibhohksyvvcm-uhfffaoysa-n.3
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) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS)
DOI: 10.14272/baibhohksyvvcm-uhfffaoysa-n/13cnmr.2
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, 35.1, 33.8.
DOI: 10.14272/baibhohksyvvcm-uhfffaoysa-n/ir.2
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, 1674, 1588, 1553, 1496, 1489, 1436, 1411, 1395, 1323, 1285, 1227, 1205, 1180, 1160, 1145, 1116, 1102, 965, 935, 908, 874, 816, 796, 773, 742, 718, 701, 657, 636, 620, 578, 572, 517, 497, 465, 452, 433, 424, 385 cm–1.
DOI: 10.14272/baibhohksyvvcm-uhfffaoysa-n/mass.2
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) EI (m/z, 70 eV, 50 °C): 236 (54), 131 (14), 104 (100), 78 (12).HRMS (C17H16O): Calcd 236.1201, Found 236.1200.
DOI: 10.14272/qtmojoffvqkiiz-uhfffaoysa-n.1
title: C18H16Br2
title: InChI=1S/C18H16Br2/c19-18(20)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 (InChI=1S/C18H16Br2/c19-18(20)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) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS)
DOI: 10.14272/qtmojoffvqkiiz-uhfffaoysa-n/13cnmr
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C18H16Br2/c19-18(20)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 = 139.9, 139.6, 139.3, 138.4, 136.5, 135.6, 135.0, 133.4, 133.3, 133.2, 133.2, 132.4, 130.2, 90.1, 35.5, 35.2, 34.8, 33.9.residues of cyclohexane
DOI: 10.14272/qtmojoffvqkiiz-uhfffaoysa-n/1hnmr
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C18H16Br2/c19-18(20)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 = 7.43 (s, 1H), 6.68–6.61 (m, 1H), 6.61–6.50 (m, 4H), 6.51–6.42 (m, 2H), 3.34 (ddd, J = 13.2 Hz, J = 10.0 Hz, J = 2.6 Hz, 1H), 3.19–2.95 (m, 6H), 2.89 (ddd, J = 13.6 Hz, J = 10.5 Hz, J = 5.8 Hz, 1H).residues of H2O, cyclohexane and grease
DOI: 10.18419/darus-621/59
title: LIFES50plus_25d0.sum

description: :unav
DOI: 10.14272/gcrybhutysznkj-uhfffaoysa-n.1
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: infrared absorption spectroscopy (IR) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS)
DOI: 10.14272/gcrybhutysznkj-uhfffaoysa-n/13cnmr
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (5-ethynyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene)
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: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3, ppm) δ = 143.1, 139.8, 139.7, 139.5, 137.7, 134.0, 133.5, 133.4, 132.9, 132.7, 130.1, 123.9, 84.1, 80.4, 35.6, 35.2, 34.4, 34.3.
DOI: 10.14272/gcrybhutysznkj-uhfffaoysa-n/1hnmr
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (5-ethynyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene)
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: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1HNMR (400 MHz, CDCl3, ppm) δ = 7.04–6.96 (m, 1H), 6.60–6.42 (m, 6H),3.59 (ddd, J = 13.2 Hz, J = 10.4 Hz, J = 2.8 Hz, 1H), 3.28 (s, 1H), 3.23 (ddd, J = 13.0 Hz, J = 10.4 Hz, J = 5.2 Hz, 1H), 3.15–2.94 (m, 5H), 2.86 (ddd, J = 13.1 Hz, J = 10.5 Hz, J = 5.2 Hz, 1H).residues of H2O and cyclohexane
DOI: 10.14272/gcrybhutysznkj-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) (5-ethynyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene)
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: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3303, 3257, 3036, 3010, 2952, 2928, 2918, 2888, 2850, 2772, 2098, 1894, 1588, 1500, 1480, 1449, 1432, 1411, 1402, 1316, 1278, 1239, 1211, 1186, 1153, 1086, 955, 941, 929, 907, 882, 863, 827, 795, 728, 715, 652, 639, 609, 586, 550, 526, 492, 480, 445, 431, 394 cm–1.
DOI: 10.14272/qtmojoffvqkiiz-uhfffaoysa-n/ir
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C18H16Br2/c19-18(20)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) = 3006, 2946, 2919, 2887, 2849, 1907, 1595, 1494, 1448, 1432, 1407, 1248, 1203, 1183, 1152, 1108, 1088, 963, 938, 905, 895, 874, 839, 820, 806, 796, 741, 717, 686, 646, 603, 579, 550, 526, 506, 462, 436, 412, 394, 381 cm–1.
DOI: 10.14272/qtmojoffvqkiiz-uhfffaoysa-n/mass
title: mass spectrometry (MS) ()
title: InChI=1S/C18H16Br2/c19-18(20)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) EI (m/z, 70 eV, 80 °C): 392/394 (13/6), 311/313 (32/33), 207/209 (39/38), 128 (80), 104 (100), 78 (11). HRMS (C18H16Br2): Calcd 389.9619, Found 389.9618.
DOI: 10.14272/gcrybhutysznkj-uhfffaoysa-n/mass
title: mass spectrometry (MS) (5-ethynyltricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene)
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: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 40 °C): 232 (88), 217 (10), 128 (91), 104 (100), 78 (13).HRMS (C18H16): Calcd 232.1252, Found 232.1251.
DOI: 10.14272/uiupxpaouncbnr-uhfffaoysa-n.2
title: (Sp) 5-(1,4(1,4)-dibenzenacyclohexaphane-12-yl)-1-(4-methoxyphenyl)-1H-1,2,3-triazole
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: mass spectrometry (MS) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) infrared absorption spectroscopy (IR)
DOI: 10.14272/uiupxpaouncbnr-uhfffaoysa-n/13cnmr.1
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 = 159.6, 140.5, 139.5, 139.4, 138.9, 138.4, 135.5, 135.0, 133.5, 133.5, 133.3, 132.5, 132.3, 129.9, 129.5, 126.7 (2C), 125.8, 114.1 (2C), 55.5, 35.4, 35.1, 34.9, 33.6.residues of cyclohexane
DOI: 10.14272/uiupxpaouncbnr-uhfffaoysa-n/1hnmr.1
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 = 8.02 (s, 1H), 7.11–7.06 (m, 2H), 6.80–6.75 (m, 2H), 6.68–6.45 (m, 6H), 6.37–6.33 (m, 1H), 3.76 (s, 3H), 3.18–3.01 (m, 4H), 2.80–2.72 (m, 2H), 2.52–2.44 (m, 2H).residues of cyclohexane