cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/hnuxxjzifvpfbp-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C14H12NO2P/c1-11-6-7-15-12(10-11)18(13-4-2-8-16-13)14-5-3-9-17-14/h2-10H,1H3

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/hnuxxjzifvpfbp-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C14H12NO2P/c1-11-6-7-15-12(10-11)18(13-4-2-8-16-13)14-5-3-9-17-14/h2-10H,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/hnuxxjzifvpfbp-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C14H12NO2P/c1-11-6-7-15-12(10-11)18(13-4-2-8-16-13)14-5-3-9-17-14/h2-10H,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/hnuxxjzifvpfbp-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C14H12NO2P/c1-11-6-7-15-12(10-11)18(13-4-2-8-16-13)14-5-3-9-17-14/h2-10H,1H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/hnuxxjzifvpfbp-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C14H12NO2P/c1-11-6-7-15-12(10-11)18(13-4-2-8-16-13)14-5-3-9-17-14/h2-10H,1H3

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/hnuxxjzifvpfbp-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C14H12NO2P/c1-11-6-7-15-12(10-11)18(13-4-2-8-16-13)14-5-3-9-17-14/h2-10H,1H3

description: dataset for mass spectrometry (MS) MS (FAB, 3-NBA) m/z [%] = 274 (37) [M+O+H]+, 259 (16), 258 (100) [M+H]+, 257 (51) [M]+, 206 (19), 190 (59) [M-Furan]+. – HRMS (C14H13NO2P) calcd: 258.0684; found: 258.0683.
DOI: 10.14272/hnuxxjzifvpfbp-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C14H12NO2P/c1-11-6-7-15-12(10-11)18(13-4-2-8-16-13)14-5-3-9-17-14/h2-10H,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR) 𝜈̃ [cm–1] = 3114 (vw), 2920 (vw), 1588 (m), 1549 (w), 1456 (m), 1368 (w), 1211 (w), 1152 (w), 1119 (m), 1064 (w), 1006 (m), 903 (m), 883 (w), 824 (w), 748 (m), 650 (w), 595 (m), 553 (w), 499 (m), 479 (m), 448 (w), 2920 (vw).
DOI: 10.14272/hnuxxjzifvpfbp-uhfffaoysa-n.1
title: C14H12NO2P
title: InChI=1S/C14H12NO2P/c1-11-6-7-15-12(10-11)18(13-4-2-8-16-13)14-5-3-9-17-14/h2-10H,1H3

description: This dataset contains experimental data from a sample (InChI=1S/C14H12NO2P/c1-11-6-7-15-12(10-11)18(13-4-2-8-16-13)14-5-3-9-17-14/h2-10H,1H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) 31P nuclear magnetic resonance spectroscopy (31P NMR) heteronuclear single quantum coherence (HSQC) 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) distortionless enhancement with polarization transfer (DEPT) distortionless enhancement with polarization transfer (DEPT) 1H--1H correlation spectroscopy (1H-1H COSY) infrared absorption spectroscopy (IR) mass spectrometry (MS)
DOI: 10.14272/dddgaosofslelm-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C20H20NP/c1-15-4-8-18(9-5-15)22(19-10-6-16(2)7-11-19)20-14-17(3)12-13-21-20/h4-14H,1-3H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, DMSO-d6) δ [ppm] = 162.8 (d, 1JCP = 4.3 Hz, 1C, Cq1), 149.8 (d, 3JCP = 12.4 Hz, 1C, C5), 146.6 (d, 3JCP = 3.3 Hz, 1C, C3), 138.6 (s, 2C, Cq10), 133.8 (d, 2JCP = 20.0 Hz, 4C, C8), 132.8 (d, 1JCP = 9.5 Hz, 2C, C7), 129.3 (d, JCP = 7.4 Hz, 4C, C9), 128.0 (d, 2JCP = 18.8 Hz, 1C, C2), 123.3 (s, 1C, C4), 20.8 (s, 2C, C11), 20.3 (s, 1C, C6). Impurties: 1% dichloromethane, 4% cyclohexane, 1% phosphineoxide of the compound according to the 31P-NMR.
DOI: 10.14272/dddgaosofslelm-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C20H20NP/c1-15-4-8-18(9-5-15)22(19-10-6-16(2)7-11-19)20-14-17(3)12-13-21-20/h4-14H,1-3H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/dddgaosofslelm-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C20H20NP/c1-15-4-8-18(9-5-15)22(19-10-6-16(2)7-11-19)20-14-17(3)12-13-21-20/h4-14H,1-3H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/dddgaosofslelm-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C20H20NP/c1-15-4-8-18(9-5-15)22(19-10-6-16(2)7-11-19)20-14-17(3)12-13-21-20/h4-14H,1-3H3

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/dddgaosofslelm-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C20H20NP/c1-15-4-8-18(9-5-15)22(19-10-6-16(2)7-11-19)20-14-17(3)12-13-21-20/h4-14H,1-3H3

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/dddgaosofslelm-uhfffaoysa-n.1
title: C20H20NP
title: InChI=1S/C20H20NP/c1-15-4-8-18(9-5-15)22(19-10-6-16(2)7-11-19)20-14-17(3)12-13-21-20/h4-14H,1-3H3

description: This dataset contains experimental data from a sample (InChI=1S/C20H20NP/c1-15-4-8-18(9-5-15)22(19-10-6-16(2)7-11-19)20-14-17(3)12-13-21-20/h4-14H,1-3H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) 31P nuclear magnetic resonance spectroscopy (31P NMR) heteronuclear single quantum coherence (HSQC) 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) 1H--1H correlation spectroscopy (1H-1H COSY) distortionless enhancement with polarization transfer (DEPT) distortionless enhancement with polarization transfer (DEPT) infrared absorption spectroscopy (IR) mass spectrometry (MS)
DOI: 10.14272/dddgaosofslelm-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C20H20NP/c1-15-4-8-18(9-5-15)22(19-10-6-16(2)7-11-19)20-14-17(3)12-13-21-20/h4-14H,1-3H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR) 𝜈̃ [cm–1] = 2919 (w), 1587 (w), 1548 (w), 1496 (w), 1443 (w), 1395 (w), 1307 (vw), 1185 (w), 1092 (w), 1020 (w), 987 (w), 804 (m), 743 (vw), 712 (vw), 627 (w), 557 (vw), 505 (m), 449 (w).
DOI: 10.14272/dddgaosofslelm-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C20H20NP/c1-15-4-8-18(9-5-15)22(19-10-6-16(2)7-11-19)20-14-17(3)12-13-21-20/h4-14H,1-3H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/dddgaosofslelm-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C20H20NP/c1-15-4-8-18(9-5-15)22(19-10-6-16(2)7-11-19)20-14-17(3)12-13-21-20/h4-14H,1-3H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, DMSO-d6) δ [ppm] = 8.49 (d, 3JHH = 4.9 Hz, 1H, H5), 7.20–7.19 (m, 8H, H8, H9), 7.12 (d, 3JHH = 4.9 Hz, 1H, H4), 6.90 (bs, 1H, H2), 2.30 (s, 6H, H11), 2.20 (s, 3H, H6). Impurties: 1% dichloromethane, 4% cyclohexane, 1% phosphineoxide of the compound according to the 31P-NMR.
DOI: 10.14272/dddgaosofslelm-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C20H20NP/c1-15-4-8-18(9-5-15)22(19-10-6-16(2)7-11-19)20-14-17(3)12-13-21-20/h4-14H,1-3H3

description: dataset for mass spectrometry (MS) MS (FAB, 3-NBA) m/z [%] = 322 (13) [M+O+H]+, 307 (25), 306 (100) [M+H]+, 305 (89) [M]+, 304 (34), 214 (22), 199 (15) [M-Pyr-Me]+. – HRMS (C20H21NP) calcd 306.1412; found 306.1413.
DOI: 10.14272/dddgaosofslelm-uhfffaoysa-n/chmo0000739
title: 31P nuclear magnetic resonance spectroscopy (31P NMR) ()
title: InChI=1S/C20H20NP/c1-15-4-8-18(9-5-15)22(19-10-6-16(2)7-11-19)20-14-17(3)12-13-21-20/h4-14H,1-3H3

description: dataset for 31P nuclear magnetic resonance spectroscopy (31P NMR) 31P-NMR (162 MHz, DMSO-d6) δ [ppm] = −6.84 (s, 1P). Impurties: 1% phosphineoxide of the compound.
DOI: 10.14272/hooypaplawubbk-uhfffaoysa-l/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C21H22NP.2C18H15P.2Cu.2HI/c1-15-9-16(2)12-19(11-15)23(21-7-5-6-8-22-21)20-13-17(3)10-18(4)14-20;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h5-14H,1-4H3;2*1-15H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, DMSO-d6) δ [ppm] = 8.61 (bs, 1H, HL(Pyr)), 7.81 (bs, 1H, HL(Pyr)), 7.49 (bs, 1H, HL(Pyr)), 7.43–7.37 (m, 19H, HP, HL(Pyr)), 7.31 (t, 3JHH = 7.4 Hz, 12H, HP), 7.01 (bs, 6H, HL), (s, 12H, HL(Me)). Impurities: 2% phosphine oxide of the ligands according to the 31P-NMR, note that the complex was not completely dissolved in the deuterated solvent.
DOI: 10.14272/hooypaplawubbk-uhfffaoysa-l/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C21H22NP.2C18H15P.2Cu.2HI/c1-15-9-16(2)12-19(11-15)23(21-7-5-6-8-22-21)20-13-17(3)10-18(4)14-20;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h5-14H,1-4H3;2*1-15H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR) 𝜈̃ [cm–1] = 3049 (vw), 1583 (vw), 1479 (vw), 1434 (w), 1183 (vw), 1157 (vw), 1127 (vw), 1094 (w), 1027 (vw), 998 (vw), 846 (vw), 742 (w), 692 (m), 618 (vw), 563 (vw), 519 (w), 505 (w), 431 (vw).
DOI: 10.14272/hooypaplawubbk-uhfffaoysa-l/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C21H22NP.2C18H15P.2Cu.2HI/c1-15-9-16(2)12-19(11-15)23(21-7-5-6-8-22-21)20-13-17(3)10-18(4)14-20;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h5-14H,1-4H3;2*1-15H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for mass spectrometry (MS) MS (FAB, 3-NBA) m/z [%] = 1080 (4) [Cu3I2L2]+, 1023 (2) [Cu3I2LP]+, 834 (9) [Cu2ILP]+, 761 (19) [Cu3I2L]+, 704 (8) [Cu3I2P]+, 644 (40) [CuLP]+, 587 (39) [CuP2]+, 571 (36) [Cu2IL]+, 514 (13) [Cu2IP]+, 382 (100) [CuL]+, 325 (46) [CuP]+, 320 (13) [L+H]+, 263 (23) [P+H]+, 185 (9) [PPh2]+.
DOI: 10.14272/hooypaplawubbk-uhfffaoysa-l.1
title: C57H52Cu2I2NP3
title: InChI=1S/C21H22NP.2C18H15P.2Cu.2HI/c1-15-9-16(2)12-19(11-15)23(21-7-5-6-8-22-21)20-13-17(3)10-18(4)14-20;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h5-14H,1-4H3;2*1-15H;;;2*1H/q;;;2*+1;;/p-2

description: This dataset contains experimental data from a sample (InChI=1S/C21H22NP.2C18H15P.2Cu.2HI/c1-15-9-16(2)12-19(11-15)23(21-7-5-6-8-22-21)20-13-17(3)10-18(4)14-20;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h5-14H,1-4H3;2*1-15H;;;2*1H/q;;;2*+1;;/p-2). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) 31P nuclear magnetic resonance spectroscopy (31P NMR) infrared absorption spectroscopy (IR) mass spectrometry (MS) single crystal X-ray diffraction (single-crystal X-ray diffraction)
DOI: 10.14272/hooypaplawubbk-uhfffaoysa-l/chmo0000739
title: 31P nuclear magnetic resonance spectroscopy (31P NMR) ()
title: InChI=1S/C21H22NP.2C18H15P.2Cu.2HI/c1-15-9-16(2)12-19(11-15)23(21-7-5-6-8-22-21)20-13-17(3)10-18(4)14-20;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h5-14H,1-4H3;2*1-15H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for 31P nuclear magnetic resonance spectroscopy (31P NMR) 31P NMR (162 MHz, DMSO-d6) δ [ppm] = −5.26 (bs, 1P, PL), −8.48 (bs, 2P, PP). Impurities: 2% phosphine oxide of the ligands, note that the complex was not completely dissolved in the deuterated solvent.
DOI: 10.14272/hooypaplawubbk-uhfffaoysa-l/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C21H22NP.2C18H15P.2Cu.2HI/c1-15-9-16(2)12-19(11-15)23(21-7-5-6-8-22-21)20-13-17(3)10-18(4)14-20;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h5-14H,1-4H3;2*1-15H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, DMSO-d6) δ [ppm] = 150.7 (bs), 137.4 (d, J = 6.3 Hz), 133.6 (d, J = 13.8 Hz), 133.2 (d, J = 26.2 Hz), 131.5 (s), 131.3 (bs), 129.8 (s), 128.4 (d, J = 8.2 Hz), resonances could not be assigned due to low resolution even at 8192 ns (49C). Impurities: 2% phosphine oxide of the ligands according to the 31P-NMR, note that the complex was not completely dissolved in the deuterated solvent.
DOI: 10.14272/hooypaplawubbk-uhfffaoysa-l/chmo0000159
title: single crystal X-ray diffraction (single-crystal X-ray diffraction) ()
title: InChI=1S/C21H22NP.2C18H15P.2Cu.2HI/c1-15-9-16(2)12-19(11-15)23(21-7-5-6-8-22-21)20-13-17(3)10-18(4)14-20;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h5-14H,1-4H3;2*1-15H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for single crystal X-ray diffraction (single-crystal X-ray diffraction)
DOI: 10.14272/mfvbutobvqrhoj-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) (bis(4-fluorophenyl)-pyridin-2-ylphosphane)
title: InChI=1S/C17H12F2NP/c18-13-4-8-15(9-5-13)21(17-3-1-2-12-20-17)16-10-6-14(19)7-11-16/h1-12H

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F NMR (376 MHz, DMSO-d6) δ [ppm] = −116.15 (d, J = 4.3 Hz, 2F).
DOI: 10.14272/mfvbutobvqrhoj-uhfffaoysa-n/chmo0000739
title: 31P nuclear magnetic resonance spectroscopy (31P NMR) (bis(4-fluorophenyl)-pyridin-2-ylphosphane)
title: InChI=1S/C17H12F2NP/c18-13-4-8-15(9-5-13)21(17-3-1-2-12-20-17)16-10-6-14(19)7-11-16/h1-12H

description: dataset for 31P nuclear magnetic resonance spectroscopy (31P NMR) 31P NMR (162 MHz, DMSO-d6) δ [ppm] = −8.15 (t, J = 4.2 Hz, 1P).
DOI: 10.14272/mfvbutobvqrhoj-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) (bis(4-fluorophenyl)-pyridin-2-ylphosphane)
title: InChI=1S/C17H12F2NP/c18-13-4-8-15(9-5-13)21(17-3-1-2-12-20-17)16-10-6-14(19)7-11-16/h1-12H

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/mfvbutobvqrhoj-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (bis(4-fluorophenyl)-pyridin-2-ylphosphane)
title: InChI=1S/C17H12F2NP/c18-13-4-8-15(9-5-13)21(17-3-1-2-12-20-17)16-10-6-14(19)7-11-16/h1-12H

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 60 °C) m/z [%] = 300/299/298 (21/100/100) [M]+, 219 (25), 203 (29), 69 (15). – HRMS (C17H12F2NP) calcd 299.0675; found 299.0676.
DOI: 10.14272/mfvbutobvqrhoj-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (bis(4-fluorophenyl)-pyridin-2-ylphosphane)
title: InChI=1S/C17H12F2NP/c18-13-4-8-15(9-5-13)21(17-3-1-2-12-20-17)16-10-6-14(19)7-11-16/h1-12H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/mfvbutobvqrhoj-uhfffaoysa-n/chmo0000159
title: single crystal X-ray diffraction (single-crystal X-ray diffraction) (bis(4-fluorophenyl)-pyridin-2-ylphosphane)
title: InChI=1S/C17H12F2NP/c18-13-4-8-15(9-5-13)21(17-3-1-2-12-20-17)16-10-6-14(19)7-11-16/h1-12H

description: dataset for single crystal X-ray diffraction (single-crystal X-ray diffraction)
DOI: 10.14272/mfvbutobvqrhoj-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (bis(4-fluorophenyl)-pyridin-2-ylphosphane)
title: InChI=1S/C17H12F2NP/c18-13-4-8-15(9-5-13)21(17-3-1-2-12-20-17)16-10-6-14(19)7-11-16/h1-12H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, DMSO-d6, ppm) δ = 8.68 (ddd, 3JHH = 4.8 Hz, 4JHH = 1.8 Hz, J = 1.0 Hz, 1H, H5), 7.75 (tt, 3JHH = 7.7 Hz, 4JHH = 2.1 Hz, 1H, H3), 7.40–7.32 (m, 5H, H4, H8), 7.27 (td, 3JHH = 9.0 Hz, 4J = 0.8 Hz, 4H, H7), 7.10 (ddt, 3JHH = 7.8 Hz, J = 2.1 Hz, J = 1.1 Hz, 1H, H2).
DOI: 10.14272/mfvbutobvqrhoj-uhfffaoysa-n/chmo0000601
title: heteronuclear multiple bond coherence (HMBC) (bis(4-fluorophenyl)-pyridin-2-ylphosphane)
title: InChI=1S/C17H12F2NP/c18-13-4-8-15(9-5-13)21(17-3-1-2-12-20-17)16-10-6-14(19)7-11-16/h1-12H

description: dataset for heteronuclear multiple bond coherence (HMBC)
DOI: 10.14272/mfvbutobvqrhoj-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) (bis(4-fluorophenyl)-pyridin-2-ylphosphane)
title: InChI=1S/C17H12F2NP/c18-13-4-8-15(9-5-13)21(17-3-1-2-12-20-17)16-10-6-14(19)7-11-16/h1-12H

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/mfvbutobvqrhoj-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (bis(4-fluorophenyl)-pyridin-2-ylphosphane)
title: InChI=1S/C17H12F2NP/c18-13-4-8-15(9-5-13)21(17-3-1-2-12-20-17)16-10-6-14(19)7-11-16/h1-12H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/mfvbutobvqrhoj-uhfffaoysa-n.1
title: bis(4-fluorophenyl)-pyridin-2-ylphosphane
title: InChI=1S/C17H12F2NP/c18-13-4-8-15(9-5-13)21(17-3-1-2-12-20-17)16-10-6-14(19)7-11-16/h1-12H

description: This dataset contains experimental data from a sample (bis(4-fluorophenyl)-pyridin-2-ylphosphane, InChI=1S/C17H12F2NP/c18-13-4-8-15(9-5-13)21(17-3-1-2-12-20-17)16-10-6-14(19)7-11-16/h1-12H). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) 31P nuclear magnetic resonance spectroscopy (31P NMR) heteronuclear single quantum coherence (HSQC) heteronuclear multiple bond coherence (HMBC) distortionless enhancement with polarization transfer (DEPT) distortionless enhancement with polarization transfer (DEPT) 1H--1H correlation spectroscopy (1H-1H COSY) infrared absorption spectroscopy (IR) mass spectrometry (MS) 19F nuclear magnetic resonance spectroscopy (19F NMR) single crystal X-ray diffraction (single-crystal X-ray diffraction)
DOI: 10.14272/mfvbutobvqrhoj-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (bis(4-fluorophenyl)-pyridin-2-ylphosphane)
title: InChI=1S/C17H12F2NP/c18-13-4-8-15(9-5-13)21(17-3-1-2-12-20-17)16-10-6-14(19)7-11-16/h1-12H

description: dataset for infrared absorption spectroscopy (IR) IR (ATR) 𝜈̃ [cm–1] = 3050 (vw), 1653 (vw), 1587 (m), 1570 (m), 1560 (m), 1493 (m), 1447 (m), 1413 (m), 1282 (w), 1222 (m), 1159 (m), 1105 (m), 1076 (m), 1042 (w), 1013 (w), 986 (m), 827 (m), 759 (m), 700 (m), 613 (w), 523 (m), 500 (w), 467 (w), 439 (w), 404 (w).
DOI: 10.14272/mfvbutobvqrhoj-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (bis(4-fluorophenyl)-pyridin-2-ylphosphane)
title: InChI=1S/C17H12F2NP/c18-13-4-8-15(9-5-13)21(17-3-1-2-12-20-17)16-10-6-14(19)7-11-16/h1-12H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, DMSO-d6) δ [ppm] = 162.9 (d, 1JCF = 247.2 Hz, 2C, Cq9), 162.3 (d, 1JCP = 4.5 Hz, 1C, Cq1), 150.3 (d, 3JCP = 11.4 Hz, 1C, C5), 136.4 (d, 3JCP = 3.6 Hz, 1C, C3), 136.1 (dd, J = 21.4 Hz, J = 8.3 Hz, 4C, C8), 131.9 (dd, J = 10.8 Hz, J = 3.4 Hz, 2C, Cq6), 127.7 (d, 2JCP = 20.5 Hz, 1C, C2), 122.9 (s, 1C, C4), 116.0 (dd, J = 21.0 Hz, J = 8.0 Hz, 4C, C7).
DOI: 10.14272/qnbkmqzczwgccm-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C23H26NP/c1-15-11-17(3)22(18(4)12-15)25(21-9-7-8-10-24-21)23-19(5)13-16(2)14-20(23)6/h7-14H,1-6H3

description: dataset for mass spectrometry (MS) MS (FAB, 3-NBA) m/z [%] = 349 (18), 348 (88) [M+H]+, 347 (100) [M]+, 346 (27), 332 (28) [M-Me-H]+, 228 (42) [M-Mesityl]+, 227/226 (17/19), 213 (22), 196 (18). – HRMS (C23H26NP) calcd: 347.1803; found: 347.1802.
DOI: 10.14272/qnbkmqzczwgccm-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C23H26NP/c1-15-11-17(3)22(18(4)12-15)25(21-9-7-8-10-24-21)23-19(5)13-16(2)14-20(23)6/h7-14H,1-6H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, DMSO-d6) δ [ppm] = 8.63 (d, 3JHH = 4.4 Hz, 1H, H5), 7.61–7.56 (m, 1H, H3), 7.22 (m, 1H, H4), 7.09 (d, 3JHH = 7.8 Hz, 1H, H2), 6.84 (d, 3JHH = 2.9 Hz, 4H, H8), 2.20 (s, 6H, H11), 2.02 (s, 12H, H10). Impurities: 4% dichloromethane, 6% cyclohexane, 1% phosphine oxide of the compound according to the 31P NMR.
DOI: 10.14272/qnbkmqzczwgccm-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C23H26NP/c1-15-11-17(3)22(18(4)12-15)25(21-9-7-8-10-24-21)23-19(5)13-16(2)14-20(23)6/h7-14H,1-6H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C-NMR (101 MHz, DMSO-d6) δ [ppm] = 163.0 (d, 1JCP = 6.3 Hz, 1C, Cq1), 150.0 (d, 3JCP = 13.5 Hz, 1C, C5), 142.3 (d, 2JCP = 15.7 Hz, 4C, Cq7), 138.0 (s, 2C, Cq9), 135.7 (d, 3JCP = 2.2 Hz, 1C, C3), 129.8 (d, 3JCP = 3.6 Hz, 4C, C8), 129.1 (d, 1JCP = 18.6 Hz, 2C, Cq6), 127.2 (d, 2JCP = 18.8 Hz, 1C, C2), 121.9 (s, 1C, C4), 22.5 (d, 3JCP = 15.6 Hz, 4C, C10), 20.5 (s, 2C, C11). Impurities: 4% dichloromethane, 6% cyclohexane, 1% phosphine oxide of the compound according to the 31P-NMR.
DOI: 10.14272/qnbkmqzczwgccm-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C23H26NP/c1-15-11-17(3)22(18(4)12-15)25(21-9-7-8-10-24-21)23-19(5)13-16(2)14-20(23)6/h7-14H,1-6H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/qnbkmqzczwgccm-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C23H26NP/c1-15-11-17(3)22(18(4)12-15)25(21-9-7-8-10-24-21)23-19(5)13-16(2)14-20(23)6/h7-14H,1-6H3

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/qnbkmqzczwgccm-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C23H26NP/c1-15-11-17(3)22(18(4)12-15)25(21-9-7-8-10-24-21)23-19(5)13-16(2)14-20(23)6/h7-14H,1-6H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/qnbkmqzczwgccm-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C23H26NP/c1-15-11-17(3)22(18(4)12-15)25(21-9-7-8-10-24-21)23-19(5)13-16(2)14-20(23)6/h7-14H,1-6H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/qnbkmqzczwgccm-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C23H26NP/c1-15-11-17(3)22(18(4)12-15)25(21-9-7-8-10-24-21)23-19(5)13-16(2)14-20(23)6/h7-14H,1-6H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR) 𝜈̃ = 2922 (m), 2849 (w), 1602 (w), 1568 (m), 1557 (w), 1444 (m), 1416 (m), 1375 (w), 1289 (w), 1148 (w), 1029 (w), 986 (w), 848 (m), 764 (m), 745 (w), 714 (w), 627 (w), 616 (w), 602 (w), 569 (w), 555 (m), 513 (vw), 479 (w), 447 (w), 420 (w), 400 (w) cm–1.
DOI: 10.14272/qnbkmqzczwgccm-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C23H26NP/c1-15-11-17(3)22(18(4)12-15)25(21-9-7-8-10-24-21)23-19(5)13-16(2)14-20(23)6/h7-14H,1-6H3

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/qnbkmqzczwgccm-uhfffaoysa-n/chmo0000739
title: 31P nuclear magnetic resonance spectroscopy (31P NMR) ()
title: InChI=1S/C23H26NP/c1-15-11-17(3)22(18(4)12-15)25(21-9-7-8-10-24-21)23-19(5)13-16(2)14-20(23)6/h7-14H,1-6H3

description: dataset for 31P nuclear magnetic resonance spectroscopy (31P NMR) 31P NMR (162 MHz, DMSO-d6) δ [ppm] = −21.27 (s, 1P). Impurities: 1% phosphine oxide of the compound.