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5-Hydroxydiclofenac, dimethyl ester

View entire compound with spectra: 1 FTIR

5-Hydroxydiclofenac, dimethyl ester
SpectraBase Compound ID Fj32QQRwRTi
InChI InChI=1S/C17H15Cl2NO5/c1-23-15(21)9-10-8-11(25-17(22)24-2)6-7-14(10)20-16-12(18)4-3-5-13(16)19/h3-8,20H,9H2,1-2H3
InChIKey WMFZGSMIEOTLMJ-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

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SpectraBase Spectrum ID Cy4mSZSUH3o
Name 5-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)9-10-8-11(25-17(22)24-2)6-7-14(10)20-16-12(18)4-3-5-13(16)19/h3-8,20H,9H2,1-2H3
InChIKey WMFZGSMIEOTLMJ-UHFFFAOYSA-N
Molecular Weight 384.215 g/mol
SMILES C1(=C(C=CC=C1Cl)Cl)NC1=CC=C(C=C1CC(OC)=O)OC(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94851