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Fumaric acid, trans-hex-3-enyl tridecyl ester

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

Fumaric acid, trans-hex-3-enyl tridecyl ester
SpectraBase Compound ID KhVeB8rxYWR
InChI InChI=1S/C23H40O4/c1-3-5-7-9-10-11-12-13-14-15-17-21-27-23(25)19-18-22(24)26-20-16-8-6-4-2/h6,8,18-19H,3-5,7,9-17,20-21H2,1-2H3/b8-6+,19-18+
InChIKey NWYSCFQMVILLBL-OVWOTOAESA-N
Mol Weight 380.6 g/mol
Molecular Formula C23H40O4
Exact Mass 380.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 46WNw9PlT0J
Name Fumaric acid, trans-hex-3-enyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.292659764 u
Formula C23H40O4
InChI InChI=1S/C23H40O4/c1-3-5-7-9-10-11-12-13-14-15-17-21-27-23(25)19-18-22(24)26-20-16-8-6-4-2/h6,8,18-19H,3-5,7,9-17,20-21H2,1-2H3/b8-6+,19-18+
InChIKey NWYSCFQMVILLBL-OVWOTOAESA-N
Molecular Weight 380.569 g/mol
SMILES C(OCC\C=C\CC)(\C=C\C(OCCCCCCCCCCCCC)=O)=O