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Fumaric acid, 2-phenylethyl propyl ester

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

Fumaric acid, 2-phenylethyl propyl ester
SpectraBase Compound ID DfJ7rd32RCC
InChI InChI=1S/C15H18O4/c1-2-11-18-14(16)8-9-15(17)19-12-10-13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3/b9-8+
InChIKey ZIUDVECQRNWDNU-CMDGGOBGSA-N
Mol Weight 262.3 g/mol
Molecular Formula C15H18O4
Exact Mass 262.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3ipL3GUdByL
Name Fumaric acid, 2-phenylethyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.120509056 u
Formula C15H18O4
InChI InChI=1S/C15H18O4/c1-2-11-18-14(16)8-9-15(17)19-12-10-13-6-4-3-5-7-13/h3-9H,2,10-12H2,1H3/b9-8+
InChIKey ZIUDVECQRNWDNU-CMDGGOBGSA-N
Molecular Weight 262.305 g/mol
SMILES C(OCCC1=CC=CC=C1)(\C=C\C(OCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.982436