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2-Diphenylphosphanyl-benzoic-acid-benzylester

View entire compound with spectra: 2 NMR

2-Diphenylphosphanyl-benzoic-acid-benzylester
SpectraBase Compound ID KOmgXIepEFK
InChI InChI=1S/C26H21O2P/c27-26(28-20-21-12-4-1-5-13-21)24-18-10-11-19-25(24)29(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-19H,20H2
InChIKey MXGIMAAXDMIMAY-UHFFFAOYSA-N
Mol Weight 396.43 g/mol
Molecular Formula C26H21O2P
Exact Mass 396.127917 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4fJZaPB7wiD
Name 2-Diphenylphosphanyl-benzoic-acid-benzylester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.127916912 u
Formula C26H21O2P
InChI InChI=1S/C26H21O2P/c27-26(28-20-21-12-4-1-5-13-21)24-18-10-11-19-25(24)29(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-19H,20H2
InChIKey MXGIMAAXDMIMAY-UHFFFAOYSA-N
Molecular Weight 396.426 g/mol
SMILES C1(P(C2=CC=CC=C2)C2=CC=CC=C2)=C(C(=O)OCC2=CC=CC=C2)C=CC=C1