cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/tyasfkrzowimfl-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2,3,4,6-tetra(carbazol-9-yl)-5-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]benzonitrile)
title: InChI=1S/C63H36IN7O/c64-39-35-33-38(34-36-39)62-66-67-63(72-62)57-58(68-49-25-9-1-17-40(49)41-18-2-10-26-50(41)68)48(37-65)59(69-51-27-11-3-19-42(51)43-20-4-12-28-52(43)69)61(71-55-31-15-7-23-46(55)47-24-8-16-32-56(47)71)60(57)70-53-29-13-5-21-44(53)45-22-6-14-30-54(45)70/h1-36H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, DMSO-d6) δ = 8.20 (d, J = 7.7 Hz, 2H), 8.04 (d, J = 8.2 Hz, 2H), 7.90–7.78 (m, 4H), 7.76–7.65 (m, 6H), 7.62–7.51 (m, 4H), 7.48 (d, J = 7.6 Hz, 2H), 7.34 (t, J = 7.5 Hz, 2H), 7.17–6.94 (m, 8H), 6.81 (t, J = 7.4 Hz, 2H), 6.75 (t, J = 7.6 Hz, 2H), 6.32 (d, J = 8.4 Hz, 2H).
DOI: 10.14272/tyasfkrzowimfl-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2,3,4,6-tetra(carbazol-9-yl)-5-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]benzonitrile)
title: InChI=1S/C63H36IN7O/c64-39-35-33-38(34-36-39)62-66-67-63(72-62)57-58(68-49-25-9-1-17-40(49)41-18-2-10-26-50(41)68)48(37-65)59(69-51-27-11-3-19-42(51)43-20-4-12-28-52(43)69)61(71-55-31-15-7-23-46(55)47-24-8-16-32-56(47)71)60(57)70-53-29-13-5-21-44(53)45-22-6-14-30-54(45)70/h1-36H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, DMSO) δ = 163.0, 156.9, 144.2, 143.2, 142.0, 141.1, 139.6, 138.9, 138.3, 138.1, 137.9, 128.1, 127.2, 126.5, 125.2, 124.2, 123.1, 123.1, 123.0, 122.7, 121.0, 120.7, 120.6, 120.3, 120.0, 119.4, 118.1, 112.6, 111.4, 110.7, 100.4 (Missing 33 C due to unassignable signals caused by low resolution due to poor solubility).
DOI: 10.14272/tyasfkrzowimfl-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (2,3,4,6-tetra(carbazol-9-yl)-5-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]benzonitrile)
title: InChI=1S/C63H36IN7O/c64-39-35-33-38(34-36-39)62-66-67-63(72-62)57-58(68-49-25-9-1-17-40(49)41-18-2-10-26-50(41)68)48(37-65)59(69-51-27-11-3-19-42(51)43-20-4-12-28-52(43)69)61(71-55-31-15-7-23-46(55)47-24-8-16-32-56(47)71)60(57)70-53-29-13-5-21-44(53)45-22-6-14-30-54(45)70/h1-36H

description: dataset for infrared absorption spectroscopy (IR) IR (ATR) ṽ [cm-1] = 2920 (m), 2850 (m), 1596 (w), 1446 (s), 1333 (m), 1308 (m), 1221 (m), 115 (m), 1118 (w), 1084 (w), 1004 (m), 921 (w), 826 (w), 741 (s), 720 (s), 617 (w), 594 (w), 577 (w), 551 (w), 527 (w), 503 (w), 419 (w).
DOI: 10.14272/vmbnkdpntrhcjf-uhfffaoysa-n.2
title: 2,3,4,6-tetra(carbazol-9-yl)-5-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzonitrile
title: InChI=1S/C64H39N7O/c1-39-34-36-40(37-35-39)63-66-67-64(72-63)58-59(68-50-26-10-2-18-41(50)42-19-3-11-27-51(42)68)49(38-65)60(69-52-28-12-4-20-43(52)44-21-5-13-29-53(44)69)62(71-56-32-16-8-24-47(56)48-25-9-17-33-57(48)71)61(58)70-54-30-14-6-22-45(54)46-23-7-15-31-55(46)70/h2-37H,1H3

description: This dataset contains experimental data from a sample (2,3,4,6-tetra(carbazol-9-yl)-5-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzonitrile, InChI=1S/C64H39N7O/c1-39-34-36-40(37-35-39)63-66-67-64(72-63)58-59(68-50-26-10-2-18-41(50)42-19-3-11-27-51(42)68)49(38-65)60(69-52-28-12-4-20-43(52)44-21-5-13-29-53(44)69)62(71-56-32-16-8-24-47(56)48-25-9-17-33-57(48)71)61(58)70-54-30-14-6-22-45(54)46-23-7-15-31-55(46)70/h2-37H,1H3). 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) infrared absorption spectroscopy (IR)
DOI: 10.14272/vmbnkdpntrhcjf-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (2,3,4,6-tetra(carbazol-9-yl)-5-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzonitrile)
title: InChI=1S/C64H39N7O/c1-39-34-36-40(37-35-39)63-66-67-64(72-63)58-59(68-50-26-10-2-18-41(50)42-19-3-11-27-51(42)68)49(38-65)60(69-52-28-12-4-20-43(52)44-21-5-13-29-53(44)69)62(71-56-32-16-8-24-47(56)48-25-9-17-33-57(48)71)61(58)70-54-30-14-6-22-45(54)46-23-7-15-31-55(46)70/h2-37H,1H3

description: dataset for mass spectrometry (MS) HRMS (FAB-MS, 3-NBA, C64H40N7O) Calcd 922.3294 [M+H]+, Found 922.3293 [M+H]+.
DOI: 10.14272/vmbnkdpntrhcjf-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2,3,4,6-tetra(carbazol-9-yl)-5-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzonitrile)
title: InChI=1S/C64H39N7O/c1-39-34-36-40(37-35-39)63-66-67-64(72-63)58-59(68-50-26-10-2-18-41(50)42-19-3-11-27-51(42)68)49(38-65)60(69-52-28-12-4-20-43(52)44-21-5-13-29-53(44)69)62(71-56-32-16-8-24-47(56)48-25-9-17-33-57(48)71)61(58)70-54-30-14-6-22-45(54)46-23-7-15-31-55(46)70/h2-37H,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Methylene Chloride-d2) δ = 8.19–8.12 (m, 2H), 7.84–7.75 (m, 2H), 7.70–7.66 (m, 2H), 7.62–7.52 (m, 4H), 7.47–7.37 (m, 4H), 7.32–7.27 (m, 2H), 7.25–7.20 (m, 2H), 7.17–7.08 (m, 6H), 7.08–6.99 (m, 4H), 6.98–6.92 (m, 2H), 6.90–6.84 (m, 2H), 6.81–6.72 (m, 2H), 6.68–6.61 (m, 2H), 2.27 (s, 3H). Spectrum contains minor impurities of residual solvents (methylene chloride, water, cyclohexane) and H grease.
DOI: 10.14272/omaxcwqobaufqv-uhfffaoysa-n.1
title: C56H33N9
title: InChI=1S/C56H33N9/c57-33-42-52(62-43-25-9-1-17-34(43)35-18-2-10-26-44(35)62)51(56-58-60-61-59-56)54(64-47-29-13-5-21-38(47)39-22-6-14-30-48(39)64)55(65-49-31-15-7-23-40(49)41-24-8-16-32-50(41)65)53(42)63-45-27-11-3-19-36(45)37-20-4-12-28-46(37)63/h1-32H,(H,58,59,60,61)

description: This dataset contains experimental data from a sample (InChI=1S/C56H33N9/c57-33-42-52(62-43-25-9-1-17-34(43)35-18-2-10-26-44(35)62)51(56-58-60-61-59-56)54(64-47-29-13-5-21-38(47)39-22-6-14-30-48(39)64)55(65-49-31-15-7-23-40(49)41-24-8-16-32-50(41)65)53(42)63-45-27-11-3-19-36(45)37-20-4-12-28-46(37)63/h1-32H,(H,58,59,60,61)). 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) infrared absorption spectroscopy (IR)
DOI: 10.14272/omaxcwqobaufqv-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C56H33N9/c57-33-42-52(62-43-25-9-1-17-34(43)35-18-2-10-26-44(35)62)51(56-58-60-61-59-56)54(64-47-29-13-5-21-38(47)39-22-6-14-30-48(39)64)55(65-49-31-15-7-23-40(49)41-24-8-16-32-50(41)65)53(42)63-45-27-11-3-19-36(45)37-20-4-12-28-46(37)63/h1-32H,(H,58,59,60,61)

description: dataset for mass spectrometry (MS) HRMS (APCI, C56H34N9) calc. 832.2932 [M+H]+; found 832.2910 [M+H]+.
DOI: 10.14272/omaxcwqobaufqv-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C56H33N9/c57-33-42-52(62-43-25-9-1-17-34(43)35-18-2-10-26-44(35)62)51(56-58-60-61-59-56)54(64-47-29-13-5-21-38(47)39-22-6-14-30-48(39)64)55(65-49-31-15-7-23-40(49)41-24-8-16-32-50(41)65)53(42)63-45-27-11-3-19-36(45)37-20-4-12-28-46(37)63/h1-32H,(H,58,59,60,61)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d) δ = 11.94 (br, 1H), 8.09 (d, J = 7.8 Hz, 2H), 7.71 (d, J = 7.3 Hz, 2H), 7.58 (d, J = 6.9 Hz, 2H), 7.54–7.45 (m, 2H), 7.45 7.37 (m, 2H), 7.37–7.29 (m, 4H), 7.20 (d, J = 7.6 Hz, 2H), 7.15–7.02 (m, 6H), 6.97–6.88 (m, 6H), 6.79 (t, J = 7.6, 7.6 Hz, 2H), 6.62 (t, J = 7.7, 7.7 Hz, 2H). The spectrum contains minor impurities (5%) of H grease (1.25 ppm, 0.87–0.83 ppm).
DOI: 10.14272/omaxcwqobaufqv-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C56H33N9/c57-33-42-52(62-43-25-9-1-17-34(43)35-18-2-10-26-44(35)62)51(56-58-60-61-59-56)54(64-47-29-13-5-21-38(47)39-22-6-14-30-48(39)64)55(65-49-31-15-7-23-40(49)41-24-8-16-32-50(41)65)53(42)63-45-27-11-3-19-36(45)37-20-4-12-28-46(37)63/h1-32H,(H,58,59,60,61)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3) δ 143.4, 141.0, 138.8, 138.7, 137.7, 126.9, 125.7, 125.7, 124.7, 124.4, 124.2, 123.9, 123.9, 121.6, 121.2, 121.1, 120.8, 120.4, 120.2, 119.6, 110.2, 110.0, 109.7, 109.5. (Missing 32 C due to unassignable signals caused by low resolution due to poor solubility and unassignalbe molecular symmetry).
DOI: 10.14272/omaxcwqobaufqv-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C56H33N9/c57-33-42-52(62-43-25-9-1-17-34(43)35-18-2-10-26-44(35)62)51(56-58-60-61-59-56)54(64-47-29-13-5-21-38(47)39-22-6-14-30-48(39)64)55(65-49-31-15-7-23-40(49)41-24-8-16-32-50(41)65)53(42)63-45-27-11-3-19-36(45)37-20-4-12-28-46(37)63/h1-32H,(H,58,59,60,61)

description: dataset for infrared absorption spectroscopy (IR) IR (ATR) ṽ [cm-1] = 3652 (vw), 3047 (vw), 2771 (vw), 1708 (w), 1597 (w), 1490 (w), 1478 (w), 1446 (m), 1373 (w), 1333 (w), 1309 (w), 1222 (m), 1151 (w), 1118 (w), 1022 (w), 744 (m), 720 (m), 618 (w), 597 (w), 577 (w), 550 (w), 527 (w), 485 (vw), 441 (w), 422 (w), 382 (vw).
DOI: 10.14272/vmbnkdpntrhcjf-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2,3,4,6-tetra(carbazol-9-yl)-5-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzonitrile)
title: InChI=1S/C64H39N7O/c1-39-34-36-40(37-35-39)63-66-67-64(72-63)58-59(68-50-26-10-2-18-41(50)42-19-3-11-27-51(42)68)49(38-65)60(69-52-28-12-4-20-43(52)44-21-5-13-29-53(44)69)62(71-56-32-16-8-24-47(56)48-25-9-17-33-57(48)71)61(58)70-54-30-14-6-22-45(54)46-23-7-15-31-55(46)70/h2-37H,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CD2Cl2) δ = 165.3, 157.0, 144.1, 143.3, 143.3, 142.5, 141.7 (2C), 139.8 (2C), 139.1 (2C), 138.3 (2C), 137.7, 129.8 (2C), 128.9, 127.4 (2C), 126.9 (2C), 126.4 (2C), 126.2 (2C), 125.4 (2C), 124.7 (2C), 124.5, 124.2, 122.2 (2C), 122.1 (2C), 121.8 (2C), 121.5 (2C), 121.4 (2C), 120.8 (2C), 120.7 (2C), 120.2 (2C), 119.7, 118.7, 112.7, 110.8 (2C), 110.6 (2C), 110.0 (2C), 110.0 (2C), 21.8, (4C are missing due to unassignable carbon symmetry).
DOI: 10.14272/vmbnkdpntrhcjf-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (2,3,4,6-tetra(carbazol-9-yl)-5-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzonitrile)
title: InChI=1S/C64H39N7O/c1-39-34-36-40(37-35-39)63-66-67-64(72-63)58-59(68-50-26-10-2-18-41(50)42-19-3-11-27-51(42)68)49(38-65)60(69-52-28-12-4-20-43(52)44-21-5-13-29-53(44)69)62(71-56-32-16-8-24-47(56)48-25-9-17-33-57(48)71)61(58)70-54-30-14-6-22-45(54)46-23-7-15-31-55(46)70/h2-37H,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR) ṽ [cm-1] = 1598 (w), 1471 (w), 1477 (w), 1446 (m), 1332 (w), 1308 (w), 1222 (m), 1150 (w), 1119 (w), 1087 (w), 1015 (w), 925 (vw), 823 (w), 741 (m), 720 (m), 617 (w), 593 (vw), 575 (w), 557 (w), 527 (w), 506 (w), 490 (w), 442 (w), 424 (w), 386 (w).
DOI: 10.14272/juyjsfszarwdpq-uhfffaoysa-n.2
title: 2,3,4,6-tetra(carbazol-9-yl)-5-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]benzonitrile
title: InChI=1S/C64H36N8O/c65-37-39-33-35-40(36-34-39)63-67-68-64(73-63)58-59(69-50-25-9-1-17-41(50)42-18-2-10-26-51(42)69)49(38-66)60(70-52-27-11-3-19-43(52)44-20-4-12-28-53(44)70)62(72-56-31-15-7-23-47(56)48-24-8-16-32-57(48)72)61(58)71-54-29-13-5-21-45(54)46-22-6-14-30-55(46)71/h1-36H

description: This dataset contains experimental data from a sample (2,3,4,6-tetra(carbazol-9-yl)-5-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]benzonitrile, InChI=1S/C64H36N8O/c65-37-39-33-35-40(36-34-39)63-67-68-64(73-63)58-59(69-50-25-9-1-17-41(50)42-18-2-10-26-51(42)69)49(38-66)60(70-52-27-11-3-19-43(52)44-20-4-12-28-53(44)70)62(72-56-31-15-7-23-47(56)48-24-8-16-32-57(48)72)61(58)71-54-29-13-5-21-45(54)46-22-6-14-30-55(46)71/h1-36H). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) mass spectrometry (MS) infrared absorption spectroscopy (IR) 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/juyjsfszarwdpq-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (2,3,4,6-tetra(carbazol-9-yl)-5-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]benzonitrile)
title: InChI=1S/C64H36N8O/c65-37-39-33-35-40(36-34-39)63-67-68-64(73-63)58-59(69-50-25-9-1-17-41(50)42-18-2-10-26-51(42)69)49(38-66)60(70-52-27-11-3-19-43(52)44-20-4-12-28-53(44)70)62(72-56-31-15-7-23-47(56)48-24-8-16-32-57(48)72)61(58)71-54-29-13-5-21-45(54)46-22-6-14-30-55(46)71/h1-36H

description: dataset for mass spectrometry (MS) HRMS (APCI, C64H36N8O) Calcd 933.3085 [M+H]+, Found 933.3072 [M+H]+.
DOI: 10.14272/mspgilfmxbrfop-uhfffaoysa-n.1
title: C66H50N8O2
title: InChI=1S/C66H50N8O2/c1-65(2,3)63-69-67-61(75-63)55-57(71-47-31-15-7-23-39(47)40-24-8-16-32-48(40)71)56(62-68-70-64(76-62)66(4,5)6)59(73-51-35-19-11-27-43(51)44-28-12-20-36-52(44)73)60(74-53-37-21-13-29-45(53)46-30-14-22-38-54(46)74)58(55)72-49-33-17-9-25-41(49)42-26-10-18-34-50(42)72/h7-38H,1-6H3

description: This dataset contains experimental data from a sample (InChI=1S/C66H50N8O2/c1-65(2,3)63-69-67-61(75-63)55-57(71-47-31-15-7-23-39(47)40-24-8-16-32-48(40)71)56(62-68-70-64(76-62)66(4,5)6)59(73-51-35-19-11-27-43(51)44-28-12-20-36-52(44)73)60(74-53-37-21-13-29-45(53)46-30-14-22-38-54(46)74)58(55)72-49-33-17-9-25-41(49)42-26-10-18-34-50(42)72/h7-38H,1-6H3). 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) infrared absorption spectroscopy (IR)
DOI: 10.14272/mspgilfmxbrfop-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C66H50N8O2/c1-65(2,3)63-69-67-61(75-63)55-57(71-47-31-15-7-23-39(47)40-24-8-16-32-48(40)71)56(62-68-70-64(76-62)66(4,5)6)59(73-51-35-19-11-27-43(51)44-28-12-20-36-52(44)73)60(74-53-37-21-13-29-45(53)46-30-14-22-38-54(46)74)58(55)72-49-33-17-9-25-41(49)42-26-10-18-34-50(42)72/h7-38H,1-6H3

description: dataset for mass spectrometry (MS) HRMS (ESI, C66H50N8O2) calc. 987.4129 [M+H]+, found 987.4121 [M+H]+.
DOI: 10.14272/mspgilfmxbrfop-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C66H50N8O2/c1-65(2,3)63-69-67-61(75-63)55-57(71-47-31-15-7-23-39(47)40-24-8-16-32-48(40)71)56(62-68-70-64(76-62)66(4,5)6)59(73-51-35-19-11-27-43(51)44-28-12-20-36-52(44)73)60(74-53-37-21-13-29-45(53)46-30-14-22-38-54(46)74)58(55)72-49-33-17-9-25-41(49)42-26-10-18-34-50(42)72/h7-38H,1-6H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d) δ = 7.99–7.92 (m, 2H), 7.68–7.58 (m, 4H), 7.38 (d, J = 7.7 Hz, 2H), 7.35–7.31 (m, 2H), 7.29 (d, J = 8.0 Hz, 2H), 7.20 (ddd, J = 8.0, 7.0, 1.1 Hz, 2H), 7.15 (dd, J = 6.4, 2.8 Hz, 4H), 7.11 (d, J = 8.2 Hz, 2H), 7.00–6.91 (m, 8H), 6.83–6.77 (m, 2H), 6.69 (ddd, J = 8.4, 7.2, 1.3 Hz, 2H), 0.54 (s, 18H).
DOI: 10.14272/mspgilfmxbrfop-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C66H50N8O2/c1-65(2,3)63-69-67-61(75-63)55-57(71-47-31-15-7-23-39(47)40-24-8-16-32-48(40)71)56(62-68-70-64(76-62)66(4,5)6)59(73-51-35-19-11-27-43(51)44-28-12-20-36-52(44)73)60(74-53-37-21-13-29-45(53)46-30-14-22-38-54(46)74)58(55)72-49-33-17-9-25-41(49)42-26-10-18-34-50(42)72/h7-38H,1-6H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3) δ 173.3, 157.4, 141.3, 140.6, 139.2, 139.1, 138.4, 137.2, 128.8, 126.6, 125.6, 124.8, 124.1, 123.9, 120.9, 120.8, 120.5, 120.5, 120.2, 119.7, 110.2, 109.6, 109.0, 31.7, 27.1. (Missing 41 C due to unassignable signals caused by low resolution due to poor solubility and unassignalbe molecular symmetry).
DOI: 10.14272/mspgilfmxbrfop-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C66H50N8O2/c1-65(2,3)63-69-67-61(75-63)55-57(71-47-31-15-7-23-39(47)40-24-8-16-32-48(40)71)56(62-68-70-64(76-62)66(4,5)6)59(73-51-35-19-11-27-43(51)44-28-12-20-36-52(44)73)60(74-53-37-21-13-29-45(53)46-30-14-22-38-54(46)74)58(55)72-49-33-17-9-25-41(49)42-26-10-18-34-50(42)72/h7-38H,1-6H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR) ṽ [cm-1] = 2968 (vw), 2659 (vw), 2363 (vw), 2197 (vw), 1702 (vw), 1597 (vw), 1452 (w), 1333 (w), 1223 (w), 1027 (vw), 927 (vw), 743 (w), 548 (vw), 424 (vw).
DOI: 10.14272/bixmhpjqmvbhfd-uhfffaoysa-n.1
title: C70H42N8O2
title: InChI=1S/C70H42N8O2/c1-3-23-43(24-4-1)67-71-73-69(79-67)61-63(75-53-35-15-7-27-45(53)46-28-8-16-36-54(46)75)62(70-74-72-68(80-70)44-25-5-2-6-26-44)65(77-57-39-19-11-31-49(57)50-32-12-20-40-58(50)77)66(78-59-41-21-13-33-51(59)52-34-14-22-42-60(52)78)64(61)76-55-37-17-9-29-47(55)48-30-10-18-38-56(48)76/h1-42H

description: This dataset contains experimental data from a sample (InChI=1S/C70H42N8O2/c1-3-23-43(24-4-1)67-71-73-69(79-67)61-63(75-53-35-15-7-27-45(53)46-28-8-16-36-54(46)75)62(70-74-72-68(80-70)44-25-5-2-6-26-44)65(77-57-39-19-11-31-49(57)50-32-12-20-40-58(50)77)66(78-59-41-21-13-33-51(59)52-34-14-22-42-60(52)78)64(61)76-55-37-17-9-29-47(55)48-30-10-18-38-56(48)76/h1-42H). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) mass spectrometry (MS) infrared absorption spectroscopy (IR) 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/bixmhpjqmvbhfd-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C70H42N8O2/c1-3-23-43(24-4-1)67-71-73-69(79-67)61-63(75-53-35-15-7-27-45(53)46-28-8-16-36-54(46)75)62(70-74-72-68(80-70)44-25-5-2-6-26-44)65(77-57-39-19-11-31-49(57)50-32-12-20-40-58(50)77)66(78-59-41-21-13-33-51(59)52-34-14-22-42-60(52)78)64(61)76-55-37-17-9-29-47(55)48-30-10-18-38-56(48)76/h1-42H

description: dataset for mass spectrometry (MS) HRMS (FAB-MS, 3-NBA, C70H43N8O2) Calcd 1027.3509 [M+H]+, Found 1027.3511 [M+H]+.
DOI: 10.14272/bixmhpjqmvbhfd-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C70H42N8O2/c1-3-23-43(24-4-1)67-71-73-69(79-67)61-63(75-53-35-15-7-27-45(53)46-28-8-16-36-54(46)75)62(70-74-72-68(80-70)44-25-5-2-6-26-44)65(77-57-39-19-11-31-49(57)50-32-12-20-40-58(50)77)66(78-59-41-21-13-33-51(59)52-34-14-22-42-60(52)78)64(61)76-55-37-17-9-29-47(55)48-30-10-18-38-56(48)76/h1-42H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Methylene Chloride-d2) δ = 8.03 (d, J = 7.8 Hz, 2H), 7.74–7.65 (m, 4H), 7.53–7.48 (m, 2H), 7.45 (d, J = 3.7 Hz, 4H), 7.37–7.23 (m, 10H), 7.14 (t, J = 7.8, 7.8 Hz, 4H), 7.10–7.00 (m, 8H), 6.90 (t, J = 7.4, 7.4 Hz, 2H), 6.87–6.81 (m, 2H), 6.81–6.73 (m, 4H). The spectrum contains residual solvent (methylene chloride and ethyl acetate).
DOI: 10.14272/bixmhpjqmvbhfd-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C70H42N8O2/c1-3-23-43(24-4-1)67-71-73-69(79-67)61-63(75-53-35-15-7-27-45(53)46-28-8-16-36-54(46)75)62(70-74-72-68(80-70)44-25-5-2-6-26-44)65(77-57-39-19-11-31-49(57)50-32-12-20-40-58(50)77)66(78-59-41-21-13-33-51(59)52-34-14-22-42-60(52)78)64(61)76-55-37-17-9-29-47(55)48-30-10-18-38-56(48)76/h1-42H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CD2Cl2, ppm) δ 165.0 (2C), 157.8 (2C), 142.0 (2C), 141.8 (2C), 140.0 (4C), 139.5, 139.0 (2C), 138.6, 132.3 (2C), 129.3 (2C), 129.1 (4C), 127.2 (2C), 126.9 (4C), 126.3 (4C), 125.5 (2C), 124.4 (4C), 124.2 (2C), 124.2 (2C), 122.6 (2C), 121.5 (4C), 121.4 (2C), 121.2 (2C), 121.2 (2C), 120.7 (4C), 120.2 (2C), 110.9 (2C), 110.1 (4C), 109.4 (2C). The spectrum contains residual solvent (methylene chloride and ethyl acetate).
DOI: 10.14272/bixmhpjqmvbhfd-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C70H42N8O2/c1-3-23-43(24-4-1)67-71-73-69(79-67)61-63(75-53-35-15-7-27-45(53)46-28-8-16-36-54(46)75)62(70-74-72-68(80-70)44-25-5-2-6-26-44)65(77-57-39-19-11-31-49(57)50-32-12-20-40-58(50)77)66(78-59-41-21-13-33-51(59)52-34-14-22-42-60(52)78)64(61)76-55-37-17-9-29-47(55)48-30-10-18-38-56(48)76/h1-42H

description: dataset for infrared absorption spectroscopy (IR) IR (ATR) ṽ [cm-1] = 3046 (vw), 1597 (w), 1548 (w), 1479 (w), 1448 (m), 1333 (w), 1309 (m), 1285 (w), 1220 (m), 1150 (w), 1120 (w), 1088 (w), 1017 (w), 923 (w), 791 (vw), 742 (s), 721 (m), 707 (m), 686 (m), 617 (w), 582 (w), 549 (w), 528 (w), 505 (w), 422 (w).
DOI: 10.14272/juyjsfszarwdpq-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2,3,4,6-tetra(carbazol-9-yl)-5-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]benzonitrile)
title: InChI=1S/C64H36N8O/c65-37-39-33-35-40(36-34-39)63-67-68-64(73-63)58-59(69-50-25-9-1-17-41(50)42-18-2-10-26-51(42)69)49(38-66)60(70-52-27-11-3-19-43(52)44-20-4-12-28-53(44)70)62(72-56-31-15-7-23-47(56)48-24-8-16-32-57(48)72)61(58)71-54-29-13-5-21-45(54)46-22-6-14-30-55(46)71/h1-36H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d) δ = 8.07 (d, J = 7.7 Hz, 2H), 7.75–7.66 (m, 2H), 7.64–7.58 (m, 2H), 7.54 (ddd, J = 8.2, 7.1, 1.2 Hz, 2H), 7.48 (d, J = 8.1 Hz, 2H), 7.44–7.39 (m, 2H), 7.39–7.30 (m, 4H), 7.22 (d, J = 8.0 Hz, 2H), 7.15 (dd, J = 6.2, 2.9 Hz, 2H), 7.13–7.02 (m, 4H), 7.01–6.94 (m, 6H), 6.85–6.79 (m, 4H), 6.67 (ddd, J = 8.4, 7.3, 1.2 Hz, 2H). The spectrum contains minor impurities of residual solvent (methylene chloride at 5.30 ppm and water at 1.59 ppm) and H grease (1.25 ppm, 0.87–0.83 ppm)
DOI: 10.14272/juyjsfszarwdpq-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2,3,4,6-tetra(carbazol-9-yl)-5-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]benzonitrile)
title: InChI=1S/C64H36N8O/c65-37-39-33-35-40(36-34-39)63-67-68-64(73-63)58-59(69-50-25-9-1-17-41(50)42-18-2-10-26-51(42)69)49(38-66)60(70-52-27-11-3-19-43(52)44-20-4-12-28-53(44)70)62(72-56-31-15-7-23-47(56)48-24-8-16-32-57(48)72)61(58)71-54-29-13-5-21-45(54)46-22-6-14-30-55(46)71/h1-36H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3) δ 163.7, 158.4, 144.9, 143.8, 142.9, 142.1 (2C), 140.0 (2C), 139.3 (2C), 138.5 (2C), 137.9, 133.2 (2C), 128.3, 127.8 (2C), 127.8 (2C), 126.8 (2C), 126.7 (2C), 126.5 (2C), 125.6 (2C), 125.3 (2C), 125.2 (2C), 125.0 (2C), 124.8 (2C), 122.6 (2C), 122.5 (2C), 122.2 (2C), 121.9 (2C), 121.7 (2C), 121.2 (2C), 121.2 (2C), 120.6 (2C), 118.9, 116.1, 112.8, 111.0 (2C), 110.6 (2C), 110.2 (2C), 110.2 (2C).
DOI: 10.14272/juyjsfszarwdpq-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (2,3,4,6-tetra(carbazol-9-yl)-5-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]benzonitrile)
title: InChI=1S/C64H36N8O/c65-37-39-33-35-40(36-34-39)63-67-68-64(73-63)58-59(69-50-25-9-1-17-41(50)42-18-2-10-26-51(42)69)49(38-66)60(70-52-27-11-3-19-43(52)44-20-4-12-28-53(44)70)62(72-56-31-15-7-23-47(56)48-24-8-16-32-57(48)72)61(58)71-54-29-13-5-21-45(54)46-22-6-14-30-55(46)71/h1-36H

description: dataset for infrared absorption spectroscopy (IR) IR (ATR) ṽ [cm-1] = 2226 (vw), 1597 (vw), 1491 (w), 1447 (w), 1334 (w), 1310 (w), 1221 (w), 1015 (w), 925 (vw), 848 (vw), 742 (m), 721 (m), 609 (w), 583 (w), 555 (w), 528 (w), 422 (w).
DOI: 10.14272/frtvleztkrswbw-uhfffaoysa-n.2
title: methyl 3-[5-[2,3,4,6-tetra(carbazol-9-yl)-5-cyanophenyl]-1,3,4-oxadiazol-2-yl]propanoate
title: InChI=1S/C61H39N7O3/c1-70-55(69)35-34-54-63-64-61(71-54)56-57(65-46-26-10-2-18-37(46)38-19-3-11-27-47(38)65)45(36-62)58(66-48-28-12-4-20-39(48)40-21-5-13-29-49(40)66)60(68-52-32-16-8-24-43(52)44-25-9-17-33-53(44)68)59(56)67-50-30-14-6-22-41(50)42-23-7-15-31-51(42)67/h2-33H,34-35H2,1H3

description: This dataset contains experimental data from a sample (methyl 3-[5-[2,3,4,6-tetra(carbazol-9-yl)-5-cyanophenyl]-1,3,4-oxadiazol-2-yl]propanoate, InChI=1S/C61H39N7O3/c1-70-55(69)35-34-54-63-64-61(71-54)56-57(65-46-26-10-2-18-37(46)38-19-3-11-27-47(38)65)45(36-62)58(66-48-28-12-4-20-39(48)40-21-5-13-29-49(40)66)60(68-52-32-16-8-24-43(52)44-25-9-17-33-53(44)68)59(56)67-50-30-14-6-22-41(50)42-23-7-15-31-51(42)67/h2-33H,34-35H2,1H3). 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) infrared absorption spectroscopy (IR)