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Alcofenac di-methyl derivative

View entire compound with spectra: 1 FTIR

Alcofenac di-methyl derivative
SpectraBase Compound ID BcM9uwElio7
InChI InChI=1S/C13H15ClO3/c1-4-7-17-12-6-5-10(8-11(12)14)9-13(15-2)16-3/h4-6,8-9H,1,7H2,2-3H3
InChIKey JMYGLRFLSGZQDC-UHFFFAOYSA-N
Mol Weight 254.71 g/mol
Molecular Formula C13H15ClO3
Exact Mass 254.070972 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AWxooHjuoeh
Name Alcofenac di-methyl derivative
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.070972040 u
Formula C13H15ClO3
InChI InChI=1S/C13H15ClO3/c1-4-7-17-12-6-5-10(8-11(12)14)9-13(15-2)16-3/h4-6,8-9H,1,7H2,2-3H3
InChIKey JMYGLRFLSGZQDC-UHFFFAOYSA-N
Molecular Weight 254.713 g/mol
SMILES C1(=C(C=CC(=C1)C=C(OC)OC)OCC=C)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.862847