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Fumaric acid, 2-methylpent-3-yl octadecyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2-methylpent-3-yl octadecyl ester
SpectraBase Compound ID L5n4hbrQj5i
InChI InChI=1S/C28H52O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-31-27(29)22-23-28(30)32-26(6-2)25(3)4/h22-23,25-26H,5-21,24H2,1-4H3/b23-22+
InChIKey NPLHVCCTMWOIOI-GHVJWSGMSA-N
Mol Weight 452.7 g/mol
Molecular Formula C28H52O4
Exact Mass 452.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CGtZLuj5Gh5
Name Fumaric acid, 2-methylpent-3-yl octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.386560150 u
Formula C28H52O4
InChI InChI=1S/C28H52O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-31-27(29)22-23-28(30)32-26(6-2)25(3)4/h22-23,25-26H,5-21,24H2,1-4H3/b23-22+
InChIKey NPLHVCCTMWOIOI-GHVJWSGMSA-N
Molecular Weight 452.720 g/mol
SMILES C(OC(CC)C(C)C)(\C=C\C(OCCCCCCCCCCCCCCCCCC)=O)=O