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Succinic acid, isobutyl 2-methylphenyl ester

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

Succinic acid, isobutyl 2-methylphenyl ester
SpectraBase Compound ID EQsukPTSpKC
InChI InChI=1S/C15H20O4/c1-11(2)10-18-14(16)8-9-15(17)19-13-7-5-4-6-12(13)3/h4-7,11H,8-10H2,1-3H3
InChIKey JDQXELLSUQYTPV-UHFFFAOYSA-N
Mol Weight 264.32 g/mol
Molecular Formula C15H20O4
Exact Mass 264.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H1CT5yelUYi
Name Succinic acid, isobutyl 2-methylphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.136159120 u
Formula C15H20O4
InChI InChI=1S/C15H20O4/c1-11(2)10-18-14(16)8-9-15(17)19-13-7-5-4-6-12(13)3/h4-7,11H,8-10H2,1-3H3
InChIKey JDQXELLSUQYTPV-UHFFFAOYSA-N
Molecular Weight 264.321 g/mol
SMILES C(CCC(OC1=C(C=CC=C1)C)=O)(OCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.875632