For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-[(Diphenylphosphinoylmethyl)allylamino]-N,N-diethylbenzamide

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

2-[(Diphenylphosphinoylmethyl)allylamino]-N,N-diethylbenzamide
SpectraBase Compound ID 8K96aZFjPaY
InChI InChI=1S/C27H31N2O2P/c1-4-21-29(26-20-14-13-19-25(26)27(30)28(5-2)6-3)22-32(31,23-15-9-7-10-16-23)24-17-11-8-12-18-24/h4,7-20H,1,5-6,21-22H2,2-3H3
InChIKey WCTLHNGHQZTUJH-UHFFFAOYSA-N
Mol Weight 446.53 g/mol
Molecular Formula C27H31N2O2P
Exact Mass 446.212315 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Ba3UZbRZZMa
Name 2-[(Diphenylphosphinoylmethyl)allylamino]-N,N-diethylbenzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.212315242 u
Formula C27H31N2O2P
InChI InChI=1S/C27H31N2O2P/c1-4-21-29(26-20-14-13-19-25(26)27(30)28(5-2)6-3)22-32(31,23-15-9-7-10-16-23)24-17-11-8-12-18-24/h4,7-20H,1,5-6,21-22H2,2-3H3
InChIKey WCTLHNGHQZTUJH-UHFFFAOYSA-N
Molecular Weight 446.531 g/mol
SMILES C=1(C(N(CC)CC)=O)C(N(CP(=O)(C2=CC=CC=C2)C2=CC=CC=C2)CC=C)=CC=CC1