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Fumaric acid, butyl 2-phenylethyl ester

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

Fumaric acid, butyl 2-phenylethyl ester
SpectraBase Compound ID CwVOsDrdKuo
InChI InChI=1S/C16H20O4/c1-2-3-12-19-15(17)9-10-16(18)20-13-11-14-7-5-4-6-8-14/h4-10H,2-3,11-13H2,1H3/b10-9+
InChIKey JTQDWZAEPPVJBP-MDZDMXLPSA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DroBZahJM5P
Name Fumaric acid, butyl 2-phenylethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.136159120 u
Formula C16H20O4
InChI InChI=1S/C16H20O4/c1-2-3-12-19-15(17)9-10-16(18)20-13-11-14-7-5-4-6-8-14/h4-10H,2-3,11-13H2,1H3/b10-9+
InChIKey JTQDWZAEPPVJBP-MDZDMXLPSA-N
SMILES C(\C=C\C(OCCC1=CC=CC=C1)=O)(OCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958111