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Succinic acid, 4-chloro-3-methylphenyl 3-methylbutyl ester

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

Succinic acid, 4-chloro-3-methylphenyl 3-methylbutyl ester
SpectraBase Compound ID 4PFUYzIVrt4
InChI InChI=1S/C16H21ClO4/c1-11(2)8-9-20-15(18)6-7-16(19)21-13-4-5-14(17)12(3)10-13/h4-5,10-11H,6-9H2,1-3H3
InChIKey FHXJHEYNPXVFJH-UHFFFAOYSA-N
Mol Weight 312.79 g/mol
Molecular Formula C16H21ClO4
Exact Mass 312.112837 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FOS8HbKenaM
Name Succinic acid, 4-chloro-3-methylphenyl 3-methylbutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.112836852 u
Formula C16H21ClO4
InChI InChI=1S/C16H21ClO4/c1-11(2)8-9-20-15(18)6-7-16(19)21-13-4-5-14(17)12(3)10-13/h4-5,10-11H,6-9H2,1-3H3
InChIKey FHXJHEYNPXVFJH-UHFFFAOYSA-N
Molecular Weight 312.793 g/mol
SMILES CC1=C(C=CC(=C1)OC(=O)CCC(OCCC(C)C)=O)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.813564