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

View entire compound with spectra: 1 NMR

Fumaric acid, eicosyl 3-methylbut-3-enyl ester
SpectraBase Compound ID 9bSlLb2Rlkg
InChI InChI=1S/C29H52O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-32-28(30)22-23-29(31)33-26-24-27(2)3/h22-23H,2,4-21,24-26H2,1,3H3/b23-22+
InChIKey QDXQGVXPSLCVJV-GHVJWSGMSA-N
Mol Weight 464.7 g/mol
Molecular Formula C29H52O4
Exact Mass 464.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bchj7dASPbJ
Name Fumaric acid, eicosyl 3-methylbut-3-enyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.386560150 u
Formula C29H52O4
InChI InChI=1S/C29H52O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-32-28(30)22-23-29(31)33-26-24-27(2)3/h22-23H,2,4-21,24-26H2,1,3H3/b23-22+
InChIKey QDXQGVXPSLCVJV-GHVJWSGMSA-N
Molecular Weight 464.731 g/mol
SMILES CC(=C)CCOC(\C=C\C(OCCCCCCCCCCCCCCCCCCCC)=O)=O