cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/iowbmywbghbytc-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C 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 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3, ppm) δ = 156.6 (Cq, CArOCH3), 156.4 (Cq, CArOCH3), 144.1 (Cq, CAr), 138.5 (Cq, 2CAr), 137.2 (Cq, CAr), 134.8 (Cq, CAr), 133.5 (Cq, CAr), 133.1 (+, CArH), 131.6 (Cq, CAr), 131.1 (+, CArH), 130.7 (Cq, 2CAr), 130.6 (+, 2CArH), 128.9 (+, CArH), 128.8 (+, CArH), 128.1 (+, CArH), 127.8 (+, CArH), 123.4 (+, CArH), 121.2 (+, CArH), 120.9 (+, 2CArH), 115.4 (+, CArH), 113.4 (+, 2CArH), 113.3 (+, CArH), 111.3 (+, 2CArH), 56.0 (+, CH3O), 55.7 (+, CH3O), 1C is missing (+, CArH).Spectrum contains few impurities.The spectrum contains residue of solvent, cyclohexane at 27.1 ppm.
DOI: 10.14272/iowbmywbghbytc-uhfffaoysa-n.1
title: 10-(2'',6-dimethoxy-[1,1':3',1''-terphenyl]-3-yl)-10H-phenoxazine
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: This dataset contains experimental data from a sample (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). 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/mnllwahmkvxkns-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C35H31NO2/c1-35(2)29-15-6-8-17-31(29)36(32-18-9-7-16-30(32)35)26-20-21-34(38-4)28(23-26)25-13-11-12-24(22-25)27-14-5-10-19-33(27)37-3/h5-23H,1-4H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 7.71 (t, J = 1.5 Hz, 1H), 7.55 (dt, J = 7.5 Hz, J = 1.5 Hz, 1H), 7.51 (dt, J = 7.7 Hz, J = 1.5 Hz, 1H), 7.44 (dd, J = 7.6 Hz, J = 1.6 Hz, 3H), 7.38–7.33 (m, 2H), 7.33–7.27 (m, 1H), 7.26–7.17 (m, 2H), 7.04–6.95 (m, 4H), 6.91 (td, J = 7.4 Hz, J = 1.4 Hz, 2H), 6.42 (dd, J = 8.2, J = 1.1 Hz, 2H), 3.93 (s, 3H), 3.79 (s, 3H), 1.68 (s, 6H). Spectrum contains few impurities.The spectrum contains residue of solvents, water at 1.54 ppm and cyclohexane at 1.43 ppm.
DOI: 10.14272/mnllwahmkvxkns-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C35H31NO2/c1-35(2)29-15-6-8-17-31(29)36(32-18-9-7-16-30(32)35)26-20-21-34(38-4)28(23-26)25-13-11-12-24(22-25)27-14-5-10-19-33(27)37-3/h5-23H,1-4H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2924, 1589, 1499, 1472, 1463, 1443, 1400, 1383, 1324, 1264, 1239, 1179, 1163, 1132, 1122, 1088, 1047, 1026, 928, 902, 798, 744, 704, 663, 618, 602, 579, 431 cm–1.
DOI: 10.14272/mnllwahmkvxkns-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C35H31NO2/c1-35(2)29-15-6-8-17-31(29)36(32-18-9-7-16-30(32)35)26-20-21-34(38-4)28(23-26)25-13-11-12-24(22-25)27-14-5-10-19-33(27)37-3/h5-23H,1-4H3

description: dataset for mass spectrometry (MS) FAB (3-NBA, m/z): 499 (15), 498 (52), 497 (51), 483 (42), 482 (100), 154 (16).HRMS–FAB (m/z): calcd for C35H32O2N1 [M+H]+, 498.2433; found, 498.2431.
DOI: 10.14272/mnllwahmkvxkns-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C35H31NO2/c1-35(2)29-15-6-8-17-31(29)36(32-18-9-7-16-30(32)35)26-20-21-34(38-4)28(23-26)25-13-11-12-24(22-25)27-14-5-10-19-33(27)37-3/h5-23H,1-4H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3, ppm) δ = 156.6 (Cq, CAr), 156.2 (Cq, CAr), 141.4 (Cq, 2CAr), 138.5 (Cq, CAr), 137.4 (Cq, CAr), 133.9 (Cq, CAr), 133.7 (+, CArH), 133.3 (Cq, CAr), 131.1 (+, CArH), 131.0 (+, CArH), 130.8 (Cq, CAr), 130.7 (+, CArH), 130.1 (Cq, 2CAr), 128.7 (+, CArH), 128.2 (+, CArH), 127.8 (+, CArH), 126.5 (+, 2CArH), 125.2 (+, 2CArH), 120.9 (+, CArH), 120.5 (+, 2CArH), 114.2 (+, 2CArH), 113.1 (+, CArH), 111.3 (+, CArH), 56.0 (+, CH3O), 55.7 (+, CH3O), 36.1 (Cq, CCAr (CH3)2), 31.3 (+, 2CH3), 1C is missing (+, CArH). The spectrum contains residue of solvent, cyclohexane at 27.0 ppm.
DOI: 10.14272/mnllwahmkvxkns-uhfffaoysa-n.1
title: 10-(2'',6-dimethoxy-[1,1':3',1''-terphenyl]-3-yl)-9,9-dimethyl-9,10-dihydroacridine
title: InChI=1S/C35H31NO2/c1-35(2)29-15-6-8-17-31(29)36(32-18-9-7-16-30(32)35)26-20-21-34(38-4)28(23-26)25-13-11-12-24(22-25)27-14-5-10-19-33(27)37-3/h5-23H,1-4H3

description: This dataset contains experimental data from a sample (InChI=1S/C35H31NO2/c1-35(2)29-15-6-8-17-31(29)36(32-18-9-7-16-30(32)35)26-20-21-34(38-4)28(23-26)25-13-11-12-24(22-25)27-14-5-10-19-33(27)37-3/h5-23H,1-4H3). 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/rwafqrmjzlvgoi-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-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine)
title: InChI=1S/C33H24BNO2/c1-33(2)26-13-5-7-15-28(26)35(29-16-8-6-14-27(29)33)21-19-24-22-11-3-9-17-30(22)36-34-32(24)25(20-21)23-12-4-10-18-31(23)37-34/h3-20H,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, THF-d8, ppm) δ = 152.9 (Cq, 2CAr), 148.0 (Cq, CAr), 143.6 (Cq, 2CAr), 141.5 (Cq, 2CAr), 130.7 (+, 2CArH), 130.6 (Cq, 2CAr), 127.0 (+, 2CArH), 126.0 (+, 2CArH), 125.5 (+, 2CArH), 123.8 (+, 2CArH), 123.7 (+, 2CArH), 123.6 (Cq, 2CAr), 121.3 (+, 2CArH), 120.9 (+, 2CArH), 114.9 (+, 2CArH), 36.6 (Cq, CCAr(CH3)2), 31.9 (+, 2CH3), 1C is missing (1C, C–B).Spectrum contains few impurities.The spectrum contains residue of solvent, dichloromethane at 54.7 ppm.
DOI: 10.14272/rwafqrmjzlvgoi-uhfffaoysa-n/chmo0000594
title: 11B nuclear magnetic resonance spectroscopy (11B NMR) (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)-9,9-dimethylacridine)
title: InChI=1S/C33H24BNO2/c1-33(2)26-13-5-7-15-28(26)35(29-16-8-6-14-27(29)33)21-19-24-22-11-3-9-17-30(22)36-34-32(24)25(20-21)23-12-4-10-18-31(23)37-34/h3-20H,1-2H3

description: dataset for 11B nuclear magnetic resonance spectroscopy (11B NMR) 11B NMR (160 MHz, THF-d8, ppm) δ = 27.81.
DOI: 10.14272/rwafqrmjzlvgoi-uhfffaoysa-n.2
title: 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)-9,9-dimethylacridine
title: InChI=1S/C33H24BNO2/c1-33(2)26-13-5-7-15-28(26)35(29-16-8-6-14-27(29)33)21-19-24-22-11-3-9-17-30(22)36-34-32(24)25(20-21)23-12-4-10-18-31(23)37-34/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-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine, InChI=1S/C33H24BNO2/c1-33(2)26-13-5-7-15-28(26)35(29-16-8-6-14-27(29)33)21-19-24-22-11-3-9-17-30(22)36-34-32(24)25(20-21)23-12-4-10-18-31(23)37-34/h3-20H,1-2H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS) 11B nuclear magnetic resonance spectroscopy (11B NMR) infrared absorption spectroscopy (IR)
DOI: 10.14272/rwafqrmjzlvgoi-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (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)-9,9-dimethylacridine)
title: InChI=1S/C33H24BNO2/c1-33(2)26-13-5-7-15-28(26)35(29-16-8-6-14-27(29)33)21-19-24-22-11-3-9-17-30(22)36-34-32(24)25(20-21)23-12-4-10-18-31(23)37-34/h3-20H,1-2H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 70 °C): 477 (18), 464 (6), 463 (33), 462 (100), 461 (27), 231 (8). HRMS–EI (m/z): Calcd for C33H24N111B1 [M]+, 477.1900; Found 477.1898.
DOI: 10.14272/rwafqrmjzlvgoi-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (10-(2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine)
title: InChI=1S/C33H24BNO2/c1-33(2)26-13-5-7-15-28(26)35(29-16-8-6-14-27(29)33)21-19-24-22-11-3-9-17-30(22)36-34-32(24)25(20-21)23-12-4-10-18-31(23)37-34/h3-20H,1-2H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2968, 1611, 1589, 1584, 1568, 1555, 1500, 1480, 1460, 1438, 1418, 1371, 1334, 1281, 1258, 1218, 1205, 1174, 1157, 1146, 1135, 1119, 1085, 1044, 1035, 972, 941, 933, 916, 874, 856, 807, 779, 764, 744, 737, 704, 674, 632, 619, 611, 572, 533, 497, 453, 428 cm–1.
DOI: 10.14272/rwafqrmjzlvgoi-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-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)-9,9-dimethylacridine)
title: InChI=1S/C33H24BNO2/c1-33(2)26-13-5-7-15-28(26)35(29-16-8-6-14-27(29)33)21-19-24-22-11-3-9-17-30(22)36-34-32(24)25(20-21)23-12-4-10-18-31(23)37-34/h3-20H,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, THF-d8, ppm) δ = 8.28 (dd, J = 8.1 Hz, J =1.2 Hz, 2H), 8.24 (s, 2H), 7.54–7.49 (m, 2H), 7.49–7.43 (m, 4H), 7.23 (ddd, J = 8.2 Hz, J =5.6 Hz, J =2.7 Hz, 2H), 6.94–6.85 (m, 4H), 6.36–6.29 (m, 2H), 1.75 (s, 6H).Spectrum contains few impurities.The spectrum contains residue of solvents, dichloromethane at 5.50 ppm and water at 2.48 ppm.
DOI: 10.14272/orhnldtvdmewrb-uhfffaoysa-n.1
title: 10-(3-chloro-4-methoxyphenyl)-10H-phenoxazine
title: InChI=1S/C19H14ClNO2/c1-22-17-11-10-13(12-14(17)20)21-15-6-2-4-8-18(15)23-19-9-5-3-7-16(19)21/h2-12H,1H3

description: This dataset contains experimental data from a sample (InChI=1S/C19H14ClNO2/c1-22-17-11-10-13(12-14(17)20)21-15-6-2-4-8-18(15)23-19-9-5-3-7-16(19)21/h2-12H,1H3). 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/orhnldtvdmewrb-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C19H14ClNO2/c1-22-17-11-10-13(12-14(17)20)21-15-6-2-4-8-18(15)23-19-9-5-3-7-16(19)21/h2-12H,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 7.38 (d, J = 2.5 Hz, 1H), 7.23 (dd, J = 8.6 Hz, J = 2.5 Hz, 1H), 7.12 (d, J = 8.7 Hz, 1H), 6.77–6.53 (m, 6H), 5.93 (dd, J = 7.6 Hz, J = 1.6 Hz, 2H), 3.98 (s, 3H). Spectrum contains few impurities. The spectrum contains residue of solvent, cyclohexane at 1.43 ppm.
DOI: 10.14272/orhnldtvdmewrb-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C19H14ClNO2/c1-22-17-11-10-13(12-14(17)20)21-15-6-2-4-8-18(15)23-19-9-5-3-7-16(19)21/h2-12H,1H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 70 °C): 323/325 (100/36). HRMS–EI (m/z): calcd for C19H14O2N135Cl1 [M]+, 323.0713; found, 323.0712.
DOI: 10.14272/orhnldtvdmewrb-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C19H14ClNO2/c1-22-17-11-10-13(12-14(17)20)21-15-6-2-4-8-18(15)23-19-9-5-3-7-16(19)21/h2-12H,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3024, 2970, 1626, 1591, 1570, 1507, 1486, 1460, 1435, 1394, 1337, 1290, 1271, 1262, 1245, 1204, 1184, 1150, 1142, 1116, 1094, 1058, 1043, 1018, 958, 929, 885, 857, 837, 815, 744, 721, 707, 683, 633, 609, 589, 557, 537, 456, 416, 402 cm–1.
DOI: 10.14272/orhnldtvdmewrb-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C19H14ClNO2/c1-22-17-11-10-13(12-14(17)20)21-15-6-2-4-8-18(15)23-19-9-5-3-7-16(19)21/h2-12H,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3, ppm) δ = 155.3 (Cq, CAr), 144.1 (Cq, 2CAr), 134.5 (Cq, 2CAr), 132.8 (+, CArH), 132.0 (Cq, CAr), 130.6 (+, CArH), 124.5 (Cq, CAr), 123.5 (+, 2CArH), 121.7 (+, 2CArH), 115.7 (+, 2CArH), 113.9 (+, CArH), 113.4 (+, 2CArH), 56.6 (+, CH3O). Spectrum contains few impurities. The spectrum contains residue of solvent, cyclohexane at 27.1 ppm.
DOI: 10.14272/ulgwfaynzhaptg-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C22H20ClNO/c1-22(2)16-8-4-6-10-19(16)24(20-11-7-5-9-17(20)22)15-12-13-21(25-3)18(23)14-15/h4-14H,1-3H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3, ppm) δ = 155.0 (Cq, CAr), 141.0 (Cq, 2CAr), 134.2 (Cq, CAr), 133.2 (+, CArH), 130.8 (+, CArH), 130.2 (Cq, 2CAr), 126.5 (+, 2CArH), 125.4 (+, 2CArH), 124.2 (Cq, CAr), 120.9 (+, 2CArH), 114.1 (+, 2CArH), 113.6 (+, CArH), 56.5 (+, CH3O), 36.1 (Cq, CCAr (CH3)2), 31.4 (+, 2CH3).The spectrum contains residue of solvent, cyclohexane at 27.0 ppm.
DOI: 10.14272/ulgwfaynzhaptg-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C22H20ClNO/c1-22(2)16-8-4-6-10-19(16)24(20-11-7-5-9-17(20)22)15-12-13-21(25-3)18(23)14-15/h4-14H,1-3H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2962, 1589, 1494, 1475, 1438, 1395, 1387, 1326, 1285, 1275, 1262, 1239, 1183, 1164, 1145, 1129, 1111, 1089, 1058, 1047, 1021, 959, 929, 826, 800, 759, 749, 725, 698, 646, 612, 581, 569, 520, 429 cm–1.
DOI: 10.14272/ulgwfaynzhaptg-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C22H20ClNO/c1-22(2)16-8-4-6-10-19(16)24(20-11-7-5-9-17(20)22)15-12-13-21(25-3)18(23)14-15/h4-14H,1-3H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 7.46 (dd, J = 7.6 Hz, J = 1.6 Hz, 2H), 7.39 (d, J = 2.4 Hz, 1H), 7.24 (dd, J = 8.6 Hz, J = 2.4 Hz, 1H), 7.16 (d, J = 8.6 Hz, 1H), 7.02–6.92 (m, 4H), 6.31 (dd, J = 8.1 Hz, J = 1.2 Hz, 2H), 4.02 (s, 3H), 1.69 (s, 6H). The spectrum contains residue of solvents, water at 1.56 ppm and cyclohexane at 1.44 ppm.
DOI: 10.14272/ulgwfaynzhaptg-uhfffaoysa-n.1
title: 10-(3-chloro-4-methoxyphenyl)-9,9-dimethyl-9,10-dihydroacridine
title: InChI=1S/C22H20ClNO/c1-22(2)16-8-4-6-10-19(16)24(20-11-7-5-9-17(20)22)15-12-13-21(25-3)18(23)14-15/h4-14H,1-3H3

description: This dataset contains experimental data from a sample (InChI=1S/C22H20ClNO/c1-22(2)16-8-4-6-10-19(16)24(20-11-7-5-9-17(20)22)15-12-13-21(25-3)18(23)14-15/h4-14H,1-3H3). 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/ulgwfaynzhaptg-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C22H20ClNO/c1-22(2)16-8-4-6-10-19(16)24(20-11-7-5-9-17(20)22)15-12-13-21(25-3)18(23)14-15/h4-14H,1-3H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 70 °C): 351/350/349 (6/4/19), 336/335/334 (35/24/100).HRMS–EI (m/z): Calcd for C22H20O1N135Cl1 [M]+, 349.1233; Found 349.1231.
DOI: 10.14272/kwmalilvjynfke-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C35H31NO2/c1-35(2)29-15-7-9-17-31(29)36(32-18-10-8-16-30(32)35)26-22-24(27-13-5-11-19-33(27)37-3)21-25(23-26)28-14-6-12-20-34(28)38-4/h5-23H,1-4H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2922, 1587, 1496, 1472, 1466, 1446, 1412, 1323, 1273, 1249, 1218, 1179, 1160, 1122, 1045, 1024, 904, 752, 714, 662, 630, 616, 443 cm–1.
DOI: 10.14272/kwmalilvjynfke-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C35H31NO2/c1-35(2)29-15-7-9-17-31(29)36(32-18-10-8-16-30(32)35)26-22-24(27-13-5-11-19-33(27)37-3)21-25(23-26)28-14-6-12-20-34(28)38-4/h5-23H,1-4H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 7.86 (t, J = 1.6 Hz, 1H), 7.52 (d, J = 1.6 Hz, 2H), 7.46 (ddd, J = 7.7 Hz, J = 7.1 Hz, J = 1.6 Hz, 4H), 7.34 (td, J = 8.2 Hz, J =1.7 Hz, 2H), 7.11–6.87 (m, 8H), 6.63 (dd, J = 8.2 Hz, J =1.1 Hz, 2H), 3.83 (s, 6H), 1.71 (s, 6H). The spectrum contains residue of solvents, water at 1.55 ppm and cyclohexane at 1.44 ppm.
DOI: 10.14272/kwmalilvjynfke-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C35H31NO2/c1-35(2)29-15-7-9-17-31(29)36(32-18-10-8-16-30(32)35)26-22-24(27-13-5-11-19-33(27)37-3)21-25(23-26)28-14-6-12-20-34(28)38-4/h5-23H,1-4H3

description: dataset for mass spectrometry (MS) FAB (3-NBA, m/z): 498 (35), 497 (36), 482 (64), 307 (45), 154 (100), 137 (63), 136 (62).HRMS–FAB (m/z): calcd for C35H31O2N1 [M]+, 497.2355; found, 497.2355.
DOI: 10.14272/kwmalilvjynfke-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C35H31NO2/c1-35(2)29-15-7-9-17-31(29)36(32-18-10-8-16-30(32)35)26-22-24(27-13-5-11-19-33(27)37-3)21-25(23-26)28-14-6-12-20-34(28)38-4/h5-23H,1-4H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3, ppm) δ = 156.6 (Cq, 2CAr), 141.3 (Cq, 2CAr), 140.8 (Cq, 2CAr), 140.1 (Cq, 1CAr), 131.0 (+, 2CArH), 130.9 (+, 2CArH), 130.3 (+, CArH), 130.2 (Cq, 2CAr), 130.0 (Cq, 2CAr), 129.1 (+, 2CArH), 126.4 (+, 2CArH), 125.0 (+, 2CArH), 121.0 (+, 2CArH), 120.5 (+, 2CArH), 114.6 (+, 2CArH), 111.4 (+, 2CArH), 55.8 (+, 2CH3O), 36.2 (Cq, CCAr(CH3)2), 31.0(+, 2CH3).The spectrum contains residue of solvent, cyclohexane at 27.0 ppm.
DOI: 10.14272/rbytxyrdknconv-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C48H37BN2O2/c1-47(2)36-16-5-9-20-40(36)50(41-21-10-6-17-37(41)47)30-24-26-44-34(28-30)32-14-13-15-33-35-29-31(25-27-45(35)53-49(52-44)46(32)33)51-42-22-11-7-18-38(42)48(3,4)39-19-8-12-23-43(39)51/h5-29H,1-4H3

description: dataset for mass spectrometry (MS) FAB (3-NBA, m/z): 685 (4), 684 (5), 307 (50), 155 (34), 154 (100), 138 (39), 137 (60), 136 (76).HRMS–FAB (m/z): calcd for C48H38O2N211B1 [M]+, 685.3026; found, 685.3028.
DOI: 10.14272/rbytxyrdknconv-uhfffaoysa-n.1
title: 5,12-bis(9,9-dimethylacridin-10(9H)-yl)-8,9-dioxa-8a-borabenzo[fg]tetracene
title: InChI=1S/C48H37BN2O2/c1-47(2)36-16-5-9-20-40(36)50(41-21-10-6-17-37(41)47)30-24-26-44-34(28-30)32-14-13-15-33-35-29-31(25-27-45(35)53-49(52-44)46(32)33)51-42-22-11-7-18-38(42)48(3,4)39-19-8-12-23-43(39)51/h5-29H,1-4H3

description: This dataset contains experimental data from a sample (InChI=1S/C48H37BN2O2/c1-47(2)36-16-5-9-20-40(36)50(41-21-10-6-17-37(41)47)30-24-26-44-34(28-30)32-14-13-15-33-35-29-31(25-27-45(35)53-49(52-44)46(32)33)51-42-22-11-7-18-38(42)48(3,4)39-19-8-12-23-43(39)51/h5-29H,1-4H3). 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/rbytxyrdknconv-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C48H37BN2O2/c1-47(2)36-16-5-9-20-40(36)50(41-21-10-6-17-37(41)47)30-24-26-44-34(28-30)32-14-13-15-33-35-29-31(25-27-45(35)53-49(52-44)46(32)33)51-42-22-11-7-18-38(42)48(3,4)39-19-8-12-23-43(39)51/h5-29H,1-4H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, THF-d8, ppm) δ = 152.3 (Cq, 2CAr), 141.9 (Cq, 4CAr), 139.6 (Cq, 2CAr), 137.3 (Cq, 2CAr), 134.8 (+, CArH), 133.2 (+, 2CArH), 130.7 (Cq, 4CAr), 128.1 (+, 2CArH), 126.9 (+, 4CArH), 126.7 (+, 2CArH), 125.8 (+, 4CArH), 123.5 (+, 2CArH), 121.7 (+, 2CArH), 121.2 (+, 4CArH), 114.7 (+, 4CArH), 36.6 (Cq, 2CCAr (CH3)2), 31.5 (+, 4CH3), 1C is missing (1C, C–B).Spectrum contains few impurities.The spectrum contains residue of solvent, cyclohexane at 27.6 ppm.
DOI: 10.14272/rbytxyrdknconv-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C48H37BN2O2/c1-47(2)36-16-5-9-20-40(36)50(41-21-10-6-17-37(41)47)30-24-26-44-34(28-30)32-14-13-15-33-35-29-31(25-27-45(35)53-49(52-44)46(32)33)51-42-22-11-7-18-38(42)48(3,4)39-19-8-12-23-43(39)51/h5-29H,1-4H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2925, 1591, 1558, 1499, 1473, 1460, 1449, 1378, 1329, 1316, 1264, 1242, 1211, 1173, 1120, 1072, 1047, 929, 834, 815, 739, 652, 629, 596, 579, 517, 487, 469, 428 cm–1.
DOI: 10.14272/rbytxyrdknconv-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C48H37BN2O2/c1-47(2)36-16-5-9-20-40(36)50(41-21-10-6-17-37(41)47)30-24-26-44-34(28-30)32-14-13-15-33-35-29-31(25-27-45(35)53-49(52-44)46(32)33)51-42-22-11-7-18-38(42)48(3,4)39-19-8-12-23-43(39)51/h5-29H,1-4H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, THF-d8, ppm) δ = 8.32 (d, J = 2.4 Hz, 2H), 8.27 (d, J = 8.0 Hz, 2H), 7.88 (t, J = 7.9 Hz, 1H), 7.75 (d, J = 8.5 Hz, 2H), 7.48 (dd, J = 7.7 Hz, J = 1.6 Hz, 4H), 7.46 (dd, J = 8.5 Hz, J = 2.4 Hz, 2H), 6.90 (m, 8H), 6.37 (dd, J = 8.2 Hz, J = 1.3 Hz, 4H), 1.70 (s, 12H). Spectrum contains few impurities.The spectrum contains residue of solvents, water at 2.57 ppm and cyclohexane at 1.44 ppm.
DOI: 10.14272/odsycoiuknzaqy-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C50H44N2O2/c1-49(2)39-18-7-11-22-43(39)51(44-23-12-8-19-40(44)49)35-26-28-47(53-5)37(31-35)33-16-15-17-34(30-33)38-32-36(27-29-48(38)54-6)52-45-24-13-9-20-41(45)50(3,4)42-21-10-14-25-46(42)52/h7-32H,1-6H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3, ppm) δ = 156.2 (Cq, 2CAr), 141.4 (Cq, 4CAr), 137.5 (Cq, 2CAr), 133.9 (Cq, 2CAr), 133.7 (+, 2CArH), 133.2 (Cq, 2CAr), 131.1 (+, 2CArH), 130.7 (+, CArH), 130.1 (Cq, 4CAr), 128.5 (+, 2CArH), 127.9 (+, CArH), 126.5 (+, 4CArH), 125.2 (+, 4CArH), 120.5 (+, 4CArH), 114.2 (+, 4CArH), 113.1 (+, 2CArH), 56.0 (+, 2CH3O), 36.1 (Cq, 2CCAr (CH3)2), 31.3 (+, 4CH3).The spectrum contains residue of solvent, cyclohexane at 27.1 ppm.
DOI: 10.14272/odsycoiuknzaqy-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C50H44N2O2/c1-49(2)39-18-7-11-22-43(39)51(44-23-12-8-19-40(44)49)35-26-28-47(53-5)37(31-35)33-16-15-17-34(30-33)38-32-36(27-29-48(38)54-6)52-45-24-13-9-20-41(45)50(3,4)42-21-10-14-25-46(42)52/h7-32H,1-6H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 7.76 (t, J = 1.5 Hz, 1H), 7.54 (dd, J = 7.3 Hz, J = 1.6 Hz, 2H), 7.45 (dd, J = 7.7 Hz, J = 1.5 Hz, 5H), 7.34 (d, J = 2.5 Hz, 2H), 7.30–7.24 (m, 2H), 7.18 (d, J = 8.6 Hz, 2H), 7.05–6.83 (m, 8H), 6.42 (dd, J = 8.1 Hz, J = 1.2 Hz, 4H), 3.91 (s, 6H), 1.68 (s, 12H). The spectrum contains residue of solvents, water at 1.56 ppm and cyclohexane at 1.44 ppm.
DOI: 10.14272/odsycoiuknzaqy-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C50H44N2O2/c1-49(2)39-18-7-11-22-43(39)51(44-23-12-8-19-40(44)49)35-26-28-47(53-5)37(31-35)33-16-15-17-34(30-33)38-32-36(27-29-48(38)54-6)52-45-24-13-9-20-41(45)50(3,4)42-21-10-14-25-46(42)52/h7-32H,1-6H3

description: dataset for mass spectrometry (MS) FAB (3-NBA, m/z): 706 (25), 705 (56), 704 (31), 703 (15), 691 (21), 690 (58), 689 (100).HRMS–FAB (m/z): calcd for C50H45O2N2 [M+H]+, 705.3481; found, 705.3479.
DOI: 10.14272/odsycoiuknzaqy-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C50H44N2O2/c1-49(2)39-18-7-11-22-43(39)51(44-23-12-8-19-40(44)49)35-26-28-47(53-5)37(31-35)33-16-15-17-34(30-33)38-32-36(27-29-48(38)54-6)52-45-24-13-9-20-41(45)50(3,4)42-21-10-14-25-46(42)52/h7-32H,1-6H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2919, 2847, 1589, 1496, 1479, 1462, 1441, 1401, 1332, 1282, 1265, 1252, 1241, 1232, 1220, 1128, 1045, 1026, 748, 741, 704, 602 cm–1.