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Succinic acid, ethyl 3-methylbenzyl ester

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

Succinic acid, ethyl 3-methylbenzyl ester
SpectraBase Compound ID G3XCVF4AQQ0
InChI InChI=1S/C14H18O4/c1-3-17-13(15)7-8-14(16)18-10-12-6-4-5-11(2)9-12/h4-6,9H,3,7-8,10H2,1-2H3
InChIKey OBNXSNFGQMLMLS-UHFFFAOYSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ur1jOazKyc
Name Succinic acid, ethyl 3-methylbenzyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.120509056 u
Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-3-17-13(15)7-8-14(16)18-10-12-6-4-5-11(2)9-12/h4-6,9H,3,7-8,10H2,1-2H3
InChIKey OBNXSNFGQMLMLS-UHFFFAOYSA-N
Molecular Weight 250.294 g/mol
SMILES C(OC(=O)CCC(OCC)=O)C=1C=CC=C(C)C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.902431