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

*Links on SpectraBase are not permalinks.
2-[(2-(4-chlorophenyl)-2-diethoxyphosphinyl)ethylcarbamoyl]benzoic acid
SpectraBase Compound ID ErUE0lBIBGS
InChI InChI=1S/C20H23ClNO6P/c1-3-27-29(26,28-4-2)18(14-9-11-15(21)12-10-14)13-22-19(23)16-7-5-6-8-17(16)20(24)25/h5-12,18H,3-4,13H2,1-2H3,(H,22,23)(H,24,25)
InChIKey FXMVAOKJKLAPIH-UHFFFAOYSA-N
Mol Weight 439.83 g/mol
Molecular Formula C20H23ClNO6P
Exact Mass 439.095152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID AbatPWXW45L
Name 2-[(2-(4-chlorophenyl)-2-diethoxyphosphinyl)ethylcarbamoyl]benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23ClNO6P
InChI InChI=1S/C20H23ClNO6P/c1-3-27-29(26,28-4-2)18(14-9-11-15(21)12-10-14)13-22-19(23)16-7-5-6-8-17(16)20(24)25/h5-12,18H,3-4,13H2,1-2H3,(H,22,23)(H,24,25)
InChIKey FXMVAOKJKLAPIH-UHFFFAOYSA-N
Molecular Weight 439.832 g/mol
SMILES N(C(c1c(C(=O)O)cccc1)=O)CC(P(=O)(OCC)OCC)c1ccc(cc1)Cl
SPLASH splash10-03di-2960400000-b7d17c9bd1378eb1ee04
Source of Spectrum JA-50-813-0
Synonyms 2-[2'-Diethoxyphosphinyl)-2'-(4''-chlorophenyl)ethylcarbamoyl]benzoic acid 2-({[2-(4-chlorophenyl)-2-(diethoxyphosphoryl)ethyl]amino}carbonyl)benzoic acid
Wiley ID 1384382