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

*Links on SpectraBase are not permalinks.

Diethyl 4-chloro-a-(4-nitroanilino)benzylphosphonate

View entire compound with spectra: 1 NMR, and 2 MS (GC)

Diethyl 4-chloro-a-(4-nitroanilino)benzylphosphonate
SpectraBase Compound ID 8hxR787zzPX
InChI InChI=1S/C17H20ClN2O5P/c1-3-24-26(23,25-4-2)17(13-5-7-14(18)8-6-13)19-15-9-11-16(12-10-15)20(21)22/h5-12,17,19H,3-4H2,1-2H3
InChIKey MXVAWSJYPGJSHV-UHFFFAOYSA-N
Mol Weight 398.78 g/mol
Molecular Formula C17H20ClN2O5P
Exact Mass 398.079836 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID FsNGRosIs9K
Name Diethyl 4-chloro-A-(4-nitroanilino)benzylphosphonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.079836445 u
Formula C17H20ClN2O5P
InChI InChI=1S/C17H20ClN2O5P/c1-3-24-26(23,25-4-2)17(13-5-7-14(18)8-6-13)19-15-9-11-16(12-10-15)20(21)22/h5-12,17,19H,3-4H2,1-2H3
InChIKey MXVAWSJYPGJSHV-UHFFFAOYSA-N
Molecular Weight 398.783 g/mol
SMILES C(NC1=CC=C(C=C1)N(=O)=O)(P(OCC)(OCC)=O)C1=CC=C(C=C1)Cl