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Succinic acid, 2-chloro-5-methylphenyl isobutyl ester

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

Succinic acid, 2-chloro-5-methylphenyl isobutyl ester
SpectraBase Compound ID 8Z1fEoOdkcH
InChI InChI=1S/C15H19ClO4/c1-10(2)9-19-14(17)6-7-15(18)20-13-8-11(3)4-5-12(13)16/h4-5,8,10H,6-7,9H2,1-3H3
InChIKey YJIHCONBWLXHOU-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 7ijwCNo5hOm
Name Succinic acid, 2-chloro-5-methylphenyl isobutyl 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/c1-10(2)9-19-14(17)6-7-15(18)20-13-8-11(3)4-5-12(13)16/h4-5,8,10H,6-7,9H2,1-3H3
InChIKey YJIHCONBWLXHOU-UHFFFAOYSA-N
SMILES C(OC=1C(=CC=C(C)C1)Cl)(CCC(OCC(C)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.898364