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Fumaric acid, nonyl tetradec-3-enyl ester

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

Fumaric acid, nonyl tetradec-3-enyl ester
SpectraBase Compound ID 3K3vGw0mgiO
InChI InChI=1S/C27H48O4/c1-3-5-7-9-11-12-13-14-15-17-19-21-25-31-27(29)23-22-26(28)30-24-20-18-16-10-8-6-4-2/h17,19,22-23H,3-16,18,20-21,24-25H2,1-2H3/b19-17+,23-22+
InChIKey UDHQAQGBJFMCBK-OLENSVKVSA-N
Mol Weight 436.7 g/mol
Molecular Formula C27H48O4
Exact Mass 436.35526 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EgNi9IB4RTq
Name Fumaric acid, nonyl tetradec-3-enyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.355260022 u
Formula C27H48O4
InChI InChI=1S/C27H48O4/c1-3-5-7-9-11-12-13-14-15-17-19-21-25-31-27(29)23-22-26(28)30-24-20-18-16-10-8-6-4-2/h17,19,22-23H,3-16,18,20-21,24-25H2,1-2H3/b19-17+,23-22+
InChIKey UDHQAQGBJFMCBK-OLENSVKVSA-N
Molecular Weight 436.677 g/mol
SMILES C(\C=C\C(OCCCCCCCCC)=O)(OCC\C=C\CCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.973679