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

*Links on SpectraBase are not permalinks.

4'-Hydroxydiclofenac, dimethyl ester

View entire compound with spectra: 1 FTIR

4'-Hydroxydiclofenac, dimethyl ester
SpectraBase Compound ID 1PadXr0cmSK
InChI InChI=1S/C17H15Cl2NO5/c1-23-15(21)7-10-5-3-4-6-14(10)20-16-12(18)8-11(9-13(16)19)25-17(22)24-2/h3-6,8-9,20H,7H2,1-2H3
InChIKey IFTJQIVIMMSBAH-UHFFFAOYSA-N
Mol Weight 384.22 g/mol
Molecular Formula C17H15Cl2NO5
Exact Mass 383.032728 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID JfixkwHg1zs
Name 4'-Hydroxydiclofenac, dimethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.032727982 u
Formula C17H15Cl2NO5
InChI InChI=1S/C17H15Cl2NO5/c1-23-15(21)7-10-5-3-4-6-14(10)20-16-12(18)8-11(9-13(16)19)25-17(22)24-2/h3-6,8-9,20H,7H2,1-2H3
InChIKey IFTJQIVIMMSBAH-UHFFFAOYSA-N
Molecular Weight 384.215 g/mol
SMILES C1(=C(C=C(C=C1Cl)OC(OC)=O)Cl)NC1=CC=CC=C1CC(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.92633