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Glutaric acid, monochloride, 2,3-dimethylphenyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Glutaric acid, monochloride, 2,3-dimethylphenyl ester
SpectraBase Compound ID LvdkGcEedLv
InChI InChI=1S/C13H15ClO3/c1-9-5-3-6-11(10(9)2)17-13(16)8-4-7-12(14)15/h3,5-6H,4,7-8H2,1-2H3
InChIKey NOVYBSOSXXNQJC-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 3vIfXxwPm3e
Name Glutaric acid, monochloride, 2,3-dimethylphenyl ester
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/c1-9-5-3-6-11(10(9)2)17-13(16)8-4-7-12(14)15/h3,5-6H,4,7-8H2,1-2H3
InChIKey NOVYBSOSXXNQJC-UHFFFAOYSA-N
Molecular Weight 254.713 g/mol
SMILES CC1=CC=CC(OC(CCCC(Cl)=O)=O)=C1C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.855942