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Fumaric acid, 4-methoxybenzyl propyl ester

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

Fumaric acid, 4-methoxybenzyl propyl ester
SpectraBase Compound ID Prdmznkcm9
InChI InChI=1S/C15H18O5/c1-3-10-19-14(16)8-9-15(17)20-11-12-4-6-13(18-2)7-5-12/h4-9H,3,10-11H2,1-2H3/b9-8+
InChIKey ZBAQOBZIRPYPSI-CMDGGOBGSA-N
Mol Weight 278.3 g/mol
Molecular Formula C15H18O5
Exact Mass 278.115424 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8r6ApgaFWi7
Name Fumaric acid, 4-methoxybenzyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.115423675 u
Formula C15H18O5
InChI InChI=1S/C15H18O5/c1-3-10-19-14(16)8-9-15(17)20-11-12-4-6-13(18-2)7-5-12/h4-9H,3,10-11H2,1-2H3/b9-8+
InChIKey ZBAQOBZIRPYPSI-CMDGGOBGSA-N
SMILES C(\C=C\C(OCCC)=O)(OCC1=CC=C(OC)C=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956868