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Fumaric acid, 3-methylbut-3-enyl nonadecyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 3-methylbut-3-enyl nonadecyl ester
SpectraBase Compound ID BsbFtrdY4PF
InChI InChI=1S/C28H50O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-31-27(29)21-22-28(30)32-25-23-26(2)3/h21-22H,2,4-20,23-25H2,1,3H3/b22-21+
InChIKey SEYOCWWGFFRITO-QURGRASLSA-N
Mol Weight 450.7 g/mol
Molecular Formula C28H50O4
Exact Mass 450.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F43n6QVVsGy
Name Fumaric acid, 3-methylbut-3-enyl nonadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.370910086 u
Formula C28H50O4
InChI InChI=1S/C28H50O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-31-27(29)21-22-28(30)32-25-23-26(2)3/h21-22H,2,4-20,23-25H2,1,3H3/b22-21+
InChIKey SEYOCWWGFFRITO-QURGRASLSA-N
Molecular Weight 450.704 g/mol
SMILES CC(=C)CCOC(\C=C\C(OCCCCCCCCCCCCCCCCCCC)=O)=O