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Succinic acid, 3-ethylphenyl isobutyl ester

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

Succinic acid, 3-ethylphenyl isobutyl ester
SpectraBase Compound ID 5TW0NuKxA8E
InChI InChI=1S/C16H22O4/c1-4-13-6-5-7-14(10-13)20-16(18)9-8-15(17)19-11-12(2)3/h5-7,10,12H,4,8-9,11H2,1-3H3
InChIKey MXXHTADTJURPEF-UHFFFAOYSA-N
Mol Weight 278.35 g/mol
Molecular Formula C16H22O4
Exact Mass 278.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I5coARAIhdQ
Name Succinic acid, 3-ethylphenyl isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.151809184 u
Formula C16H22O4
InChI InChI=1S/C16H22O4/c1-4-13-6-5-7-14(10-13)20-16(18)9-8-15(17)19-11-12(2)3/h5-7,10,12H,4,8-9,11H2,1-3H3
InChIKey MXXHTADTJURPEF-UHFFFAOYSA-N
Molecular Weight 278.348 g/mol
SMILES C(CC(OC1=CC=CC(CC)=C1)=O)C(OCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.809102