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Adipic acid, 2-chloro-5-methylphenyl ethyl ester

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

Adipic acid, 2-chloro-5-methylphenyl ethyl ester
SpectraBase Compound ID EXbRcTQDZok
InChI InChI=1S/C15H19ClO4/c1-3-19-14(17)6-4-5-7-15(18)20-13-10-11(2)8-9-12(13)16/h8-10H,3-7H2,1-2H3
InChIKey KBSHCVCALKHYFO-UHFFFAOYSA-N
Mol Weight 298.77 g/mol
Molecular Formula C15H19ClO4
Exact Mass 298.097187 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CF90uKU8W5Y
Name Adipic acid, 2-chloro-5-methylphenyl ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.097186788 u
Formula C15H19ClO4
InChI InChI=1S/C15H19ClO4/c1-3-19-14(17)6-4-5-7-15(18)20-13-10-11(2)8-9-12(13)16/h8-10H,3-7H2,1-2H3
InChIKey KBSHCVCALKHYFO-UHFFFAOYSA-N
SMILES C(CCCC(OC1=CC(C)=CC=C1Cl)=O)C(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.819808