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Fumaric acid, hexyl 2-phenylethyl ester

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

Fumaric acid, hexyl 2-phenylethyl ester
SpectraBase Compound ID 2S9QyGZOsXD
InChI InChI=1S/C18H24O4/c1-2-3-4-8-14-21-17(19)11-12-18(20)22-15-13-16-9-6-5-7-10-16/h5-7,9-12H,2-4,8,13-15H2,1H3/b12-11+
InChIKey MXYGQYWFRCDWME-VAWYXSNFSA-N
Mol Weight 304.39 g/mol
Molecular Formula C18H24O4
Exact Mass 304.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IGfcEPqKTmy
Name Fumaric acid, hexyl 2-phenylethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.167459249 u
Formula C18H24O4
InChI InChI=1S/C18H24O4/c1-2-3-4-8-14-21-17(19)11-12-18(20)22-15-13-16-9-6-5-7-10-16/h5-7,9-12H,2-4,8,13-15H2,1H3/b12-11+
InChIKey MXYGQYWFRCDWME-VAWYXSNFSA-N
SMILES CCCCCCOC(\C=C\C(OCCC1=CC=CC=C1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928035