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Fumaric acid, butyl 3-methylphenyl ester

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

Fumaric acid, butyl 3-methylphenyl ester
SpectraBase Compound ID fvyFmVtTyw
InChI InChI=1S/C15H18O4/c1-3-4-10-18-14(16)8-9-15(17)19-13-7-5-6-12(2)11-13/h5-9,11H,3-4,10H2,1-2H3/b9-8+
InChIKey LVEPELIMXJAARL-CMDGGOBGSA-N
Mol Weight 262.3 g/mol
Molecular Formula C15H18O4
Exact Mass 262.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EvipmDBKa8P
Name Fumaric acid, butyl 3-methylphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.120509056 u
Formula C15H18O4
InChI InChI=1S/C15H18O4/c1-3-4-10-18-14(16)8-9-15(17)19-13-7-5-6-12(2)11-13/h5-9,11H,3-4,10H2,1-2H3/b9-8+
InChIKey LVEPELIMXJAARL-CMDGGOBGSA-N
Molecular Weight 262.305 g/mol
SMILES C1(=CC(=CC=C1)C)OC(\C=C\C(OCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.860265