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Fumaric acid, 3-methylbut-2-yl nonadecyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 3-methylbut-2-yl nonadecyl ester
SpectraBase Compound ID A84JH2f23xy
InChI InChI=1S/C28H52O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-31-27(29)22-23-28(30)32-26(4)25(2)3/h22-23,25-26H,5-21,24H2,1-4H3/b23-22+
InChIKey GIRXXPIOZIQOOU-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 3T5kRAwOKnd
Name Fumaric acid, 3-methylbut-2-yl nonadecyl 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/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-31-27(29)22-23-28(30)32-26(4)25(2)3/h22-23,25-26H,5-21,24H2,1-4H3/b23-22+
InChIKey GIRXXPIOZIQOOU-GHVJWSGMSA-N
Molecular Weight 452.720 g/mol
SMILES C(\C=C\C(OC(C(C)C)C)=O)(OCCCCCCCCCCCCCCCCCCC)=O