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Fumaric acid, 4-chlorobenzyl isobutyl ester

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

Fumaric acid, 4-chlorobenzyl isobutyl ester
SpectraBase Compound ID Boofpr1QrEa
InChI InChI=1S/C15H17ClO4/c1-11(2)9-19-14(17)7-8-15(18)20-10-12-3-5-13(16)6-4-12/h3-8,11H,9-10H2,1-2H3/b8-7+
InChIKey DVBXPJYBOBXSIA-BQYQJAHWSA-N
Mol Weight 296.75 g/mol
Molecular Formula C15H17ClO4
Exact Mass 296.081537 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IM9uGI1cXbp
Name Fumaric acid, 4-chlorobenzyl isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.081536723 u
Formula C15H17ClO4
InChI InChI=1S/C15H17ClO4/c1-11(2)9-19-14(17)7-8-15(18)20-10-12-3-5-13(16)6-4-12/h3-8,11H,9-10H2,1-2H3/b8-7+
InChIKey DVBXPJYBOBXSIA-BQYQJAHWSA-N
Molecular Weight 296.750 g/mol
SMILES C(\C=C\C(OCC1=CC=C(C=C1)Cl)=O)(OCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.883511