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3-chloranyl-N-(diphenylphosphorylmethyl)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
SpectraBase Compound ID 4nE0v7Y2Rkr
InChI InChI=1S/C27H24ClN2O3P/c1-33-22-14-12-21(13-15-22)19-30(27(31)25-16-17-29-18-26(25)28)20-34(32,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-18H,19-20H2,1H3
InChIKey WMBZPZJAUXBAOW-UHFFFAOYSA-N
Mol Weight 490.93 g/mol
Molecular Formula C27H24ClN2O3P
Exact Mass 490.121307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AmDLP6WzIYg
Name 3-Chloranyl-N-(diphenylphosphorylmethyl)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 490.121307336 u
Formula C27H24ClN2O3P
InChI InChI=1S/C27H24ClN2O3P/c1-33-22-14-12-21(13-15-22)19-30(27(31)25-16-17-29-18-26(25)28)20-34(32,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-18H,19-20H2,1H3
InChIKey WMBZPZJAUXBAOW-UHFFFAOYSA-N
Molecular Weight 490.927 g/mol
SMILES C(N(CP(=O)(C1=CC=CC=C1)C=1C=CC=CC1)CC1=CC=C(C=C1)OC)(C1=C(Cl)C=NC=C1)=O