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Fumaric acid, 2-methylphenyl propyl ester

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

Fumaric acid, 2-methylphenyl propyl ester
SpectraBase Compound ID 4WIVhF4oMyk
InChI InChI=1S/C14H16O4/c1-3-10-17-13(15)8-9-14(16)18-12-7-5-4-6-11(12)2/h4-9H,3,10H2,1-2H3/b9-8+
InChIKey WQJVDWISXQCONO-CMDGGOBGSA-N
Mol Weight 248.28 g/mol
Molecular Formula C14H16O4
Exact Mass 248.104859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Cg8M3zpPx46
Name Fumaric acid, 2-methylphenyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.104858991 u
Formula C14H16O4
InChI InChI=1S/C14H16O4/c1-3-10-17-13(15)8-9-14(16)18-12-7-5-4-6-11(12)2/h4-9H,3,10H2,1-2H3/b9-8+
InChIKey WQJVDWISXQCONO-CMDGGOBGSA-N
Molecular Weight 248.278 g/mol
SMILES CCCOC(\C=C\C(OC1=C(C=CC=C1)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.881886