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Fumaric acid, dec-4-enyl nonyl ester

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

Fumaric acid, dec-4-enyl nonyl ester
SpectraBase Compound ID 9hTIYelyrHb
InChI InChI=1S/C23H40O4/c1-3-5-7-9-11-13-15-17-21-27-23(25)19-18-22(24)26-20-16-14-12-10-8-6-4-2/h11,13,18-19H,3-10,12,14-17,20-21H2,1-2H3/b13-11+,19-18+
InChIKey ZVFDCFDSLYURIY-IAVJMZKYSA-N
Mol Weight 380.6 g/mol
Molecular Formula C23H40O4
Exact Mass 380.29266 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ILlLdpl9Sgn
Name Fumaric acid, dec-4-enyl nonyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.292659764 u
Formula C23H40O4
InChI InChI=1S/C23H40O4/c1-3-5-7-9-11-13-15-17-21-27-23(25)19-18-22(24)26-20-16-14-12-10-8-6-4-2/h11,13,18-19H,3-10,12,14-17,20-21H2,1-2H3/b13-11+,19-18+
InChIKey ZVFDCFDSLYURIY-IAVJMZKYSA-N
Molecular Weight 380.569 g/mol
SMILES C(OCCC\C=C\CCCCC)(\C=C\C(OCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.983062