cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc24n0vp
title: CCDC 1985452: Experimental Crystal Structure Determination

description: Related Article: Baoyue Zhang, Jun Ying, Xinyue Zhang, Chen Wang, Aixiang Tian|2020|New J.Chem.|44|18074|doi:10.1039/D0NJ03485A
DOI: 10.5517/ccdc.csd.cc24n0ys
title: CCDC 1985455: Experimental Crystal Structure Determination

description: Related Article: Baoyue Zhang, Jun Ying, Xinyue Zhang, Chen Wang, Aixiang Tian|2020|New J.Chem.|44|18074|doi:10.1039/D0NJ03485A
DOI: 10.5517/ccdc.csd.cc254vx3
title: CCDC 2000675: Experimental Crystal Structure Determination

description: Related Article: Chuan-Cong Zhou, Hui Yan, Hou-Ting Liu, Rong-Yun Li, Jing Lu, Su-Na Wang, Yun-Wu Li|2020|New J.Chem.|44|17821|doi:10.1039/D0NJ04179C
DOI: 10.5517/ccdc.csd.cc254vy4
title: CCDC 2000676: Experimental Crystal Structure Determination

description: Related Article: Chuan-Cong Zhou, Hui Yan, Hou-Ting Liu, Rong-Yun Li, Jing Lu, Su-Na Wang, Yun-Wu Li|2020|New J.Chem.|44|17821|doi:10.1039/D0NJ04179C
DOI: 10.5517/ccdc.csd.cc24r8ls
title: CCDC 1988575: Experimental Crystal Structure Determination

description: Related Article: Chuan-Cong Zhou, Hui Yan, Hou-Ting Liu, Rong-Yun Li, Jing Lu, Su-Na Wang, Yun-Wu Li|2020|New J.Chem.|44|17821|doi:10.1039/D0NJ04179C
DOI: 10.5517/ccdc.csd.cc24r8pw
title: CCDC 1988578: Experimental Crystal Structure Determination

description: Related Article: Chuan-Cong Zhou, Hui Yan, Hou-Ting Liu, Rong-Yun Li, Jing Lu, Su-Na Wang, Yun-Wu Li|2020|New J.Chem.|44|17821|doi:10.1039/D0NJ04179C
DOI: 10.5517/ccdc.csd.cc24r8qx
title: CCDC 1988579: Experimental Crystal Structure Determination

description: Related Article: Chuan-Cong Zhou, Hui Yan, Hou-Ting Liu, Rong-Yun Li, Jing Lu, Su-Na Wang, Yun-Wu Li|2020|New J.Chem.|44|17821|doi:10.1039/D0NJ04179C
DOI: 10.5517/ccdc.csd.cc24n0sm
title: CCDC 1985450: Experimental Crystal Structure Determination

description: Related Article: Baoyue Zhang, Jun Ying, Xinyue Zhang, Chen Wang, Aixiang Tian|2020|New J.Chem.|44|18074|doi:10.1039/D0NJ03485A
DOI: 10.5517/ccdc.csd.cc1q9l7v
title: CCDC 1588137: Experimental Crystal Structure Determination

description: Related Article: Mahesha, M. K. Hema, C. S. Karthik, K. J. Pampa, P. Mallu, N. K. Lokanath|2020|New J.Chem.|44|18048|doi:10.1039/D0NJ03567J
DOI: 10.6084/m9.figshare.13108289
title: Data used for determining status and targets for rebuilding the three major fish stocks in Lake Victoria

description: The six datasets are associated with a paper on determining reference points for three major fish stocks in Lake Victoria. Two main data files (Lake_wide_stocks_bioAtlaSim_1, <br>Lake_wide_stocks_bioTrawHydr_2) are used for estimating lake wide reference points when the indicator of abundance is biomass or catch per unit effort (CPUE). The file: <br>and Lake_Victoria_uganda_stocks_3 is for stocks of the Ugandan part. The ID files correspond each of the main data files and the sets of data are linked by the digits 1-3 at the of the file name. For description of terms in each dataset, visit http://oceanrep.geomar.de/33076/. <br>
DOI: 10.21227/676w-by82
title: Multiwinding Transformer-based DC-DC Converter - Fault tolerance approach

description: Multiwinding-Transfomer-based (MTB) DC-DC converter did emerge in the last 25 years as an interesting possibility to connect several energy systems and/or to offer higher power density because of the reduction of transformer core material and reduction of power converter stages. MTB DC-DC converters can be considered as an interesting compromise between non-modular and a modular DC-DC converter since they are themselves modular in the construction. This eventually leads to some fault-tolerant possibilities since the multiwinding transformer (MWT) connects multiples ports and if one of them is not working anymore and it can be isolated, the others might still continue operating. Unfortunately, it is exactly the MWT that creates most of the technical challenges of this class of DC-DC converters because of the cross-coupling effects among the cells which make especially the resonant-topology very challenging to be designed. This paper reviews the history of the MTB DC-DC and then provides a classification of them, comparing them with Figure of Merits (FOM) and focusing on which is the maximum possible number of windings and which are the most suited magnetic core types. The problems coming from cross-coupling and the possible fault-tolerant operation are analyzed with the help of simulation and experimental results.
DOI: 10.21227/njdj-r232
title: Multiwinding Transformer-based DC-DC Converter - Fault tolerance approach

description: Multiwinding-Transfomer-based (MTB) DC-DC converter did emerge in the last 25 years as an interesting possibility to connect several energy systems and/or to offer higher power density because of the reduction of transformer core material and reduction of power converter stages. MTB DC-DC converters can be considered as an interesting compromise between non-modular and a modular DC-DC converter since they are themselves modular in the construction. This eventually leads to some fault-tolerant possibilities since the multiwinding transformer (MWT) connects multiples ports and if one of them is not working anymore and it can be isolated, the others might still continue operating. Unfortunately, it is exactly the MWT that creates most of the technical challenges of this class of DC-DC converters because of the cross-coupling effects among the cells which make especially the resonant-topology very challenging to be designed. This paper reviews the history of the MTB DC-DC and then provides a classification of them, comparing them with Figure of Merits (FOM) and focusing on which is the maximum possible number of windings and which are the most suited magnetic core types. The problems coming from cross-coupling and the possible fault-tolerant operation are analyzed with the help of simulation and experimental results.
DOI: 10.21227/nqze-dm42
title: C-Model 2

description: C-Model 2
DOI: 10.5281/zenodo.4135682
title: PAMPAS datasets

description: PAMPAS datasets
DOI: 10.5281/zenodo.4135681
title: PAMPAS datasets

description: PAMPAS datasets
DOI: 10.25773/aamf-fb65
title: The effects of elevated potassium, acidosis, reduced oxygen levels, and temperature on the functional properties of isolated myocardium from three elasmobranch fishes: clearnose skate (Rostroraja eglanteria), smooth dogfish (Mustelus canis), and sandbar shark (Carcharhinus plumbeus) - Associated Data
DOI: 10.6084/m9.figshare.12887966
title: Subject Category Classification

description: The dataset contains the following files.<br>* y_test.pkl: Test data set labels.<br>* y_pred_attention_20.pkl: predicted labels predicted by the attention layer (biGru + FastText + attention) after 30 iterations . <br>* 2020-kandimalla-citeseerx-subject-areas: classification results of 1 million citeseerx papers.<br>People can validate the accuracy and micro-F1 by using classification_report, confusion_matrix from sklearn framework.<br><br>
DOI: 10.6084/m9.figshare.12887966.v2
title: Subject Category Classification

description: The dataset contains the following files.<br>* y_test.pkl: Test data set labels.<br>* y_pred_attention_20.pkl: predicted labels predicted by the attention layer (biGru + FastText + attention) after 30 iterations . <br>* 2020-kandimalla-citeseerx-subject-areas: classification results of 1 million citeseerx papers.<br>People can validate the accuracy and micro-F1 by using classification_report, confusion_matrix from sklearn framework.<br><br>
DOI: 10.6084/m9.figshare.12887966.v1
title: Subject Category Classification

description: The dataset contains .pkl files for the predictions of our best model (Fasttext + Bi-GRU + Attn) and the corresponding labels. <br>Anyone can validate the accuracy and micro-F1 by using classification_report, confusion_matrix from sklearn framework. <br>
DOI: 10.21227/s0tp-z156
title: Laser ablation-like effects in segnetoelectric polymers

description: See our next papers.
DOI: 10.21227/20dw-fc38
title: Laser ablation-like effects in segnetoelectric polymers

description: See our next papers.
DOI: 10.14272/nfnpggqematdef-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C44H32N2O4/c1-47-39-24-22-31(45-35-14-3-7-18-41(35)49-42-19-8-4-15-36(42)45)27-33(39)29-12-11-13-30(26-29)34-28-32(23-25-40(34)48-2)46-37-16-5-9-20-43(37)50-44-21-10-6-17-38(44)46/h3-28H,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 7.69 (t, J = 1.6 Hz, 1H), 7.56–7.53 (m, 2H), 7.43-7.47 (m, 1H), 7.34 (d, J = 2.6 Hz, 2H), 7.28 (dd, J = 8.6 Hz, J = 2.6 Hz, 2H), 7.16 (d, J = 8.6 Hz, 2H), 6.68–6.57 (m, 12H), 6.03 (d, J = 7.3 Hz, 4H), 3.89 (s, 6H). The spectrum contains residue of solvent, water at 1.56 ppm.
DOI: 10.14272/nfnpggqematdef-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C44H32N2O4/c1-47-39-24-22-31(45-35-14-3-7-18-41(35)49-42-19-8-4-15-36(42)45)27-33(39)29-12-11-13-30(26-29)34-28-32(23-25-40(34)48-2)46-37-16-5-9-20-43(37)50-44-21-10-6-17-38(44)46/h3-28H,1-2H3

description: dataset for mass spectrometry (MS) FAB (3-NBA, m/z): 653 (3), 652 (6), 307 (48), 289 (22), 155 (27), 154 (100), 138 (31), 137 (59), 136 (56).HRMS–FAB (m/z): calcd for C44H32O4N2 [M]+, 652.2362; found, 652.2360.
DOI: 10.14272/nfnpggqematdef-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C44H32N2O4/c1-47-39-24-22-31(45-35-14-3-7-18-41(35)49-42-19-8-4-15-36(42)45)27-33(39)29-12-11-13-30(26-29)34-28-32(23-25-40(34)48-2)46-37-16-5-9-20-43(37)50-44-21-10-6-17-38(44)46/h3-28H,1-2H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3033, 1589, 1482, 1462, 1442, 1400, 1330, 1292, 1269, 1245, 1237, 1204, 1181, 1154, 1129, 1116, 1098, 1086, 1068, 1041, 1030, 928, 902, 887, 861, 816, 796, 739, 713, 697, 686, 667, 656, 636, 578, 462, 439, 404 cm–1.
DOI: 10.14272/nfnpggqematdef-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C44H32N2O4/c1-47-39-24-22-31(45-35-14-3-7-18-41(35)49-42-19-8-4-15-36(42)45)27-33(39)29-12-11-13-30(26-29)34-28-32(23-25-40(34)48-2)46-37-16-5-9-20-43(37)50-44-21-10-6-17-38(44)46/h3-28H,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3, ppm) δ = 156.4 (Cq, 2CArOCH3), 144.1 (Cq, 2CAr), 137.4 (Cq, 4CAr), 134.8 (Cq, 2CAr), 133.4 (Cq, 4CAr), 133.1 (+, CArH), 131.6 (Cq, 2CAr), 130.8 (+, CArH), 130.5 (+, 2CArH), 128.6 (+, 4CArH), 128.0 (+, 2CArH), 123.4 (+, 4CArH), 121.3 (+, 2CArH), 115.4 (+, 2CArH), 113.4 (+, 4CArH), 113.3 (+, 4CArH), 56.0 (+, 2CH3O).
DOI: 10.14272/nfnpggqematdef-uhfffaoysa-n.1
title: 10,10'-(6,6''-dimethoxy-[1,1':3',1''-terphenyl]-3,3''-diyl)bis(10H-phenoxazine)
title: InChI=1S/C44H32N2O4/c1-47-39-24-22-31(45-35-14-3-7-18-41(35)49-42-19-8-4-15-36(42)45)27-33(39)29-12-11-13-30(26-29)34-28-32(23-25-40(34)48-2)46-37-16-5-9-20-43(37)50-44-21-10-6-17-38(44)46/h3-28H,1-2H3

description: This dataset contains experimental data from a sample (InChI=1S/C44H32N2O4/c1-47-39-24-22-31(45-35-14-3-7-18-41(35)49-42-19-8-4-15-36(42)45)27-33(39)29-12-11-13-30(26-29)34-28-32(23-25-40(34)48-2)46-37-16-5-9-20-43(37)50-44-21-10-6-17-38(44)46/h3-28H,1-2H3). 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/ymnlsovgpznuai-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14,16,18-nonaen-6-yl)-9,9-dimethylacridine)
title: InChI=1S/C33H24BNO2/c1-33(2)26-13-4-6-15-28(26)35(29-16-7-5-14-27(29)33)21-18-19-31-25(20-21)24-12-9-11-23-22-10-3-8-17-30(22)36-34(37-31)32(23)24/h3-20H,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, THF-d8, ppm) δ = 8.32–8.27 (m, 2H), 8.24 (dd, J = 14.4 Hz, J = 8.0 Hz, 2H), 7.90 (t, J = 7.9 Hz, 1H), 7.70 (d, J = 8.5 Hz, 1H), 7.51–7.38 (m, 5H), 7.29 (ddd, J = 8.2 Hz, J = 6.3 Hz, J = 2.0 Hz, 1H), 6.89 (m, 4H), 6.35 (dd, J = 8.1 Hz, J = 1.4 Hz, 2H), 1.70 (s, 6H). Spectrum contains few impurities.The spectrum contains residue of solvents, water at 2.49 ppm and cyclohexane at 1.44 ppm.
DOI: 10.14272/ymnlsovgpznuai-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14,16,18-nonaen-6-yl)-9,9-dimethylacridine)
title: InChI=1S/C33H24BNO2/c1-33(2)26-13-4-6-15-28(26)35(29-16-7-5-14-27(29)33)21-18-19-31-25(20-21)24-12-9-11-23-22-10-3-8-17-30(22)36-34(37-31)32(23)24/h3-20H,1-2H3

description: dataset for mass spectrometry (MS) FAB (3-NBA, m/z): 478 (14), 477 (22), 462 (39), 307 (61), 155 (36), 154 (100), 137 (60), 136 (68).HRMS–FAB (m/z): calcd for C33H24O2N111B1 [M]+, 477.1900; found, 477.1901.
DOI: 10.14272/ymnlsovgpznuai-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14,16,18-nonaen-6-yl)-9,9-dimethylacridine)
title: InChI=1S/C33H24BNO2/c1-33(2)26-13-4-6-15-28(26)35(29-16-7-5-14-27(29)33)21-18-19-31-25(20-21)24-12-9-11-23-22-10-3-8-17-30(22)36-34(37-31)32(23)24/h3-20H,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, THF-d8, ppm) δ = 152.8 (Cq, CAr), 152.3 (Cq, CAr), 141.9 (Cq, 2CAr), 140.3 (Cq, CAr), 139.6 (Cq, CAr), 137.1 (Cq, CAr), 134.7 (+, CArH), 133.1 (+, CArH), 130.6 (Cq, 2CAr), 130.3 (+, CArH), 128.0 (+, CArH), 126.9 (+, 2CArH), 126.7 (Cq, CAr), 125.8 (+, 2CArH), 124.9 (+, CArH), 124.0 (Cq, CAr), 123.8 (+, CArH), 123.5 (+, CArH), 121.2 (+, CArH), 121.1 (+, 2CArH), 121.0 (+, CArH), 121.0 (+, CArH), 114.7(+, 2CArH), 36.6 (Cq, 2CCAr (CH3)2), 31.5 (+, 2CH3).Spectrum contains few impurities. The spectrum contains residue of solvent, cyclohexane at 27.6 ppm.
DOI: 10.14272/ymnlsovgpznuai-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14,16,18-nonaen-6-yl)-9,9-dimethylacridine)
title: InChI=1S/C33H24BNO2/c1-33(2)26-13-4-6-15-28(26)35(29-16-7-5-14-27(29)33)21-18-19-31-25(20-21)24-12-9-11-23-22-10-3-8-17-30(22)36-34(37-31)32(23)24/h3-20H,1-2H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2955, 2948, 1602, 1587, 1560, 1486, 1473, 1446, 1375, 1329, 1288, 1269, 1241, 1210, 1177, 1162, 1130, 1118, 1103, 1089, 1074, 1061, 1044, 1024, 929, 877, 861, 837, 827, 810, 754, 739, 701, 666, 630, 616, 567, 543, 531, 509, 483, 425 cm–1.
DOI: 10.14272/ymnlsovgpznuai-uhfffaoysa-n.2
title: 10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14,16,18-nonaen-6-yl)-9,9-dimethylacridine
title: InChI=1S/C33H24BNO2/c1-33(2)26-13-4-6-15-28(26)35(29-16-7-5-14-27(29)33)21-18-19-31-25(20-21)24-12-9-11-23-22-10-3-8-17-30(22)36-34(37-31)32(23)24/h3-20H,1-2H3

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(8),4,6,9,11,13(21),14,16,18-nonaen-6-yl)-9,9-dimethylacridine, InChI=1S/C33H24BNO2/c1-33(2)26-13-4-6-15-28(26)35(29-16-7-5-14-27(29)33)21-18-19-31-25(20-21)24-12-9-11-23-22-10-3-8-17-30(22)36-34(37-31)32(23)24/h3-20H,1-2H3). 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/fdjlvipjravjom-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C30H18BNO3/c1-4-13-26-20(8-1)21-9-7-10-22-23-18-19(16-17-27(23)35-31(34-26)30(21)22)32-24-11-2-5-14-28(24)33-29-15-6-3-12-25(29)32/h1-18H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, THF-d8, ppm) δ = 152.8 (Cq, CAr), 152.5 (Cq, CAr), 144.8 (Cq, 2CAr), 140.3 (Cq, CAr), 139.5 (Cq, CAr), 135.4 (Cq, 2CAr), 134.8 (Cq, CAr), 134.7 (Cq, CArH), 132.6 (Cq, CArH), 130.3 (Cq, CArH), 127.7 (Cq, CArH), 127.0 (Cq, CAr), 124.9 (Cq, CArH), 124.1 (Cq, CAr), 124.0 (+, 2CArH), 123.8 (+, CArH), 123.7 (+, CArH), 121.9 (+, 2CArH), 121.2 (+, CArH), 121.1 (+, CArH), 120.9 (+, CArH), 115.9 (+, 2CArH), 114.1 (+, 2CArH), 1C is missing (1C, C-B).
DOI: 10.14272/fdjlvipjravjom-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C30H18BNO3/c1-4-13-26-20(8-1)21-9-7-10-22-23-18-19(16-17-27(23)35-31(34-26)30(21)22)32-24-11-2-5-14-28(24)33-29-15-6-3-12-25(29)32/h1-18H

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 70 °C): 451 (15), 231 (15), 181 (47), 131 (51), 119 (16), 84 (16), 69 (100).HRMS–EI (m/z): calcd for C30H18O3N111B1 [M]+, 451.1380; found, 451.1378.
DOI: 10.14272/fdjlvipjravjom-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C30H18BNO3/c1-4-13-26-20(8-1)21-9-7-10-22-23-18-19(16-17-27(23)35-31(34-26)30(21)22)32-24-11-2-5-14-28(24)33-29-15-6-3-12-25(29)32/h1-18H

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2921, 1604, 1585, 1560, 1483, 1453, 1375, 1333, 1324, 1309, 1292, 1265, 1238, 1204, 1156, 1130, 1116, 1102, 1074, 1060, 1041, 1023, 976, 970, 955, 933, 926, 909, 878, 861, 829, 812, 758, 737, 677, 659, 637, 622, 613, 603, 591, 550, 528, 487, 466, 455, 439, 424, 412, 398, 390, 378 cm–1.
DOI: 10.14272/fdjlvipjravjom-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C30H18BNO3/c1-4-13-26-20(8-1)21-9-7-10-22-23-18-19(16-17-27(23)35-31(34-26)30(21)22)32-24-11-2-5-14-28(24)33-29-15-6-3-12-25(29)32/h1-18H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (300 MHz, THF-d8, ppm) δ = 8.36 (d, J = 2.5 Hz, 1H), 8.34–8.23 (m, 3H), 7.93 (t, J = 7.9 Hz, 1H), 7.68 (d, J = 8.6 Hz, 1H), 7.54–7.40 (m, 3H), 7.29 (ddd, J = 8.3 Hz, J = 6.3 Hz, J = 2.2 Hz, 1H), 6.73–6.51 (m, 6H), 6.01 (dd, J = 7.5 Hz, J = 1.9 Hz, 2H).The spectrum contains residue of solvent, water at 2.50 ppm.
DOI: 10.14272/fdjlvipjravjom-uhfffaoysa-n.1
title: 10-(8,9-dioxa-8a-borabenzo[fg]tetracen-12-yl)-10H-phenoxazine
title: InChI=1S/C30H18BNO3/c1-4-13-26-20(8-1)21-9-7-10-22-23-18-19(16-17-27(23)35-31(34-26)30(21)22)32-24-11-2-5-14-28(24)33-29-15-6-3-12-25(29)32/h1-18H

description: This dataset contains experimental data from a sample (InChI=1S/C30H18BNO3/c1-4-13-26-20(8-1)21-9-7-10-22-23-18-19(16-17-27(23)35-31(34-26)30(21)22)32-24-11-2-5-14-28(24)33-29-15-6-3-12-25(29)32/h1-18H). 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/swtobwmvfqisbw-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C42H25BN2O4/c1-5-16-38-32(12-1)44(33-13-2-6-17-39(33)46-38)26-20-22-36-30(24-26)28-10-9-11-29-31-25-27(21-23-37(31)49-43(48-36)42(28)29)45-34-14-3-7-18-40(34)47-41-19-8-4-15-35(41)45/h1-25H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, THF-d8, ppm) δ = 152.4 (Cq, 2CAr), 144.8 (Cq, 4CAr), 139.5 (Cq, 2CAr), 135.4 (Cq, 4CAr), 135.0 (Cq, 2CAr), 134.9 (+, CArH), 132.7 (+, 2CArH), 127.8 (+, 2CArH), 126.9 (Cq, 2CAr), 124.0 (+, 4CArH), 123.8 (+, 2CArH), 121.9 (+, 4CArH), 121.8 (+, 2CArH), 115.9 (+, 4CArH), 114.1 (+, 4CArH), 1C is missing (1C, C–B)Spectrum contains few impurities.The spectrum contains residue of H grease at 30.4 ppm
DOI: 10.14272/swtobwmvfqisbw-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C42H25BN2O4/c1-5-16-38-32(12-1)44(33-13-2-6-17-39(33)46-38)26-20-22-36-30(24-26)28-10-9-11-29-31-25-27(21-23-37(31)49-43(48-36)42(28)29)45-34-14-3-7-18-40(34)47-41-19-8-4-15-35(41)45/h1-25H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, THF-d8, ppm) δ = 8.38 (d, J = 2.5 Hz, 2H), 8.31 (d, J = 7.9 Hz, 2H), 7.93 (t, J = 7.9 Hz, 1H), 7.71 (d, J = 8.5 Hz, 2H), 7.49 (dd, J = 8.6 Hz, J = 2.4 Hz, 2H), 6.68 (dd, J = 7.8 Hz, J = 1.6 Hz, 4H), 6.62 (td, J = 7.6 Hz, J = 1.6 Hz, 4H), 6.58 (td, J = 7.6 Hz, J = 1.7 Hz, 4H), 6.03 (dd, J = 7.8 Hz, J = 1.5 Hz, 4H). Spectrum contains few impurities.The spectrum contains residue of solvent, water at 2.49 ppm.
DOI: 10.14272/swtobwmvfqisbw-uhfffaoysa-n.1
title: 5,12-di(10H-phenoxazin-10-yl)-8,9-dioxa-8a-borabenzo[fg]tetracene
title: InChI=1S/C42H25BN2O4/c1-5-16-38-32(12-1)44(33-13-2-6-17-39(33)46-38)26-20-22-36-30(24-26)28-10-9-11-29-31-25-27(21-23-37(31)49-43(48-36)42(28)29)45-34-14-3-7-18-40(34)47-41-19-8-4-15-35(41)45/h1-25H

description: This dataset contains experimental data from a sample (InChI=1S/C42H25BN2O4/c1-5-16-38-32(12-1)44(33-13-2-6-17-39(33)46-38)26-20-22-36-30(24-26)28-10-9-11-29-31-25-27(21-23-37(31)49-43(48-36)42(28)29)45-34-14-3-7-18-40(34)47-41-19-8-4-15-35(41)45/h1-25H). 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/swtobwmvfqisbw-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C42H25BN2O4/c1-5-16-38-32(12-1)44(33-13-2-6-17-39(33)46-38)26-20-22-36-30(24-26)28-10-9-11-29-31-25-27(21-23-37(31)49-43(48-36)42(28)29)45-34-14-3-7-18-40(34)47-41-19-8-4-15-35(41)45/h1-25H

description: dataset for mass spectrometry (MS) FAB (3-NBA, m/z): 633 (11), 632 (21), 307 (48), 289 (25), 155 (40), 154 (100).HRMS–FAB (m/z): calcd for C42H25N211B1 [M]+, 632.1907; found, 632.1907.
DOI: 10.14272/swtobwmvfqisbw-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C42H25BN2O4/c1-5-16-38-32(12-1)44(33-13-2-6-17-39(33)46-38)26-20-22-36-30(24-26)28-10-9-11-29-31-25-27(21-23-37(31)49-43(48-36)42(28)29)45-34-14-3-7-18-40(34)47-41-19-8-4-15-35(41)45/h1-25H

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2922, 1605, 1588, 1562, 1486, 1456, 1377, 1339, 1330, 1316, 1292, 1265, 1203, 1153, 1119, 1103, 1095, 1075, 1043, 935, 914, 878, 871, 861, 829, 813, 778, 730, 674, 640, 630, 613, 601, 562, 492, 453, 426, 394 cm–1.
DOI: 10.14272/iowbmywbghbytc-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C32H25NO3/c1-34-29-15-6-3-12-25(29)22-10-9-11-23(20-22)26-21-24(18-19-30(26)35-2)33-27-13-4-7-16-31(27)36-32-17-8-5-14-28(32)33/h3-21H,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 7.70 (t, J = 1.6 Hz, 1H), 7.58–7.50 (m, 2H), 7.45 (t, J = 7.6 Hz, 1H), 7.40–7.24 (m, 4H), 7.17 (d, J = 8.6 Hz, 1H), 7.08–6.96 (m, 2H), 6.75–6.52 (m, 6H), 6.04 (d, J = 6.2 Hz, 2H), 3.92 (s, 3H), 3.82 (s, 3H). Spectrum contains few impurities.The spectrum contains residue of solvents, cyclohexane at 1.44 ppm and water at 1.56 ppm.
DOI: 10.14272/iowbmywbghbytc-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C32H25NO3/c1-34-29-15-6-3-12-25(29)22-10-9-11-23(20-22)26-21-24(18-19-30(26)35-2)33-27-13-4-7-16-31(27)36-32-17-8-5-14-28(32)33/h3-21H,1-2H3

description: dataset for mass spectrometry (MS) FAB (3-NBA, m/z): 473 (11), 472 (48), 471 (100), 441 (6), 182 (23).HRMS–FAB (m/z): Calcd for C32H25O3N1 [M]+, 471.1834; Found, 471.1834.
DOI: 10.14272/iowbmywbghbytc-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C32H25NO3/c1-34-29-15-6-3-12-25(29)22-10-9-11-23(20-22)26-21-24(18-19-30(26)35-2)33-27-13-4-7-16-31(27)36-32-17-8-5-14-28(32)33/h3-21H,1-2H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2925, 1592, 1482, 1460, 1439, 1398, 1384, 1329, 1290, 1269, 1244, 1221, 1200, 1179, 1162, 1132, 1118, 1094, 1051, 1043, 1027, 976, 955, 928, 914, 905, 891, 858, 799, 738, 704, 656, 640, 615, 579, 538, 524, 509, 499, 490, 456, 442, 432 cm–1.