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Fumaric acid, nonyl 3-phenylpropyl ester

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

Fumaric acid, nonyl 3-phenylpropyl ester
SpectraBase Compound ID ERHVkPGtidG
InChI InChI=1S/C22H32O4/c1-2-3-4-5-6-7-11-18-25-21(23)16-17-22(24)26-19-12-15-20-13-9-8-10-14-20/h8-10,13-14,16-17H,2-7,11-12,15,18-19H2,1H3/b17-16+
InChIKey UTQLYYQWEHSDQC-WUKNDPDISA-N
Mol Weight 360.5 g/mol
Molecular Formula C22H32O4
Exact Mass 360.23006 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6fWivJBz5zK
Name Fumaric acid, nonyl 3-phenylpropyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.230059506 u
Formula C22H32O4
InChI InChI=1S/C22H32O4/c1-2-3-4-5-6-7-11-18-25-21(23)16-17-22(24)26-19-12-15-20-13-9-8-10-14-20/h8-10,13-14,16-17H,2-7,11-12,15,18-19H2,1H3/b17-16+
InChIKey UTQLYYQWEHSDQC-WUKNDPDISA-N
Molecular Weight 360.494 g/mol
SMILES CCCCCCCCCOC(\C=C\C(OCCCC1=CC=CC=C1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.811441