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Fumaric acid, 2-isopropoxyphenyl propyl ester

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

Fumaric acid, 2-isopropoxyphenyl propyl ester
SpectraBase Compound ID 6IIO7G1mJZU
InChI InChI=1S/C16H20O5/c1-4-11-19-15(17)9-10-16(18)21-14-8-6-5-7-13(14)20-12(2)3/h5-10,12H,4,11H2,1-3H3/b10-9+
InChIKey SMUZNZHGAWDOLX-MDZDMXLPSA-N
Mol Weight 292.33 g/mol
Molecular Formula C16H20O5
Exact Mass 292.131074 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5GF2hhZVI8D
Name Fumaric acid, 2-isopropoxyphenyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.131073739 u
Formula C16H20O5
InChI InChI=1S/C16H20O5/c1-4-11-19-15(17)9-10-16(18)21-14-8-6-5-7-13(14)20-12(2)3/h5-10,12H,4,11H2,1-3H3/b10-9+
InChIKey SMUZNZHGAWDOLX-MDZDMXLPSA-N
SMILES C(\C=C\C(OC1=C(OC(C)C)C=CC=C1)=O)(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.811177