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1-(3-Diphenylphosphorylpropoxymethyl)-4-nitro-benzene

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-(3-Diphenylphosphorylpropoxymethyl)-4-nitro-benzene
SpectraBase Compound ID 5OSRrpl8kaS
InChI InChI=1S/C22H22NO4P/c24-23(25)20-14-12-19(13-15-20)18-27-16-7-17-28(26,21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-15H,7,16-18H2
InChIKey JWJIVVIBJSNRPK-UHFFFAOYSA-N
Mol Weight 395.39 g/mol
Molecular Formula C22H22NO4P
Exact Mass 395.128645 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ky600XNbTQ0
Name 1-(3-Diphenylphosphorylpropoxymethyl)-4-nitro-benzene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.128645186 u
Formula C22H22NO4P
InChI InChI=1S/C22H22NO4P/c24-23(25)20-14-12-19(13-15-20)18-27-16-7-17-28(26,21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-15H,7,16-18H2
InChIKey JWJIVVIBJSNRPK-UHFFFAOYSA-N
Molecular Weight 395.395 g/mol
SMILES C=1(N(=O)=O)C=CC(=CC1)COCCCP(=O)(C1=CC=CC=C1)C=1C=CC=CC1