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Fumaric acid, cis-hex-3-enyl nonadecyl ester

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Fumaric acid, cis-hex-3-enyl nonadecyl ester
SpectraBase Compound ID JeKSuPD4kBi
InChI InChI=1S/C29H52O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-27-33-29(31)25-24-28(30)32-26-22-8-6-4-2/h6,8,24-25H,3-5,7,9-23,26-27H2,1-2H3/b8-6-,25-24+
InChIKey VHNHKPSIDKQGNI-AZCAHVIHSA-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 FqsJWl1pXKB
Name Fumaric acid, cis-hex-3-enyl nonadecyl 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/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-27-33-29(31)25-24-28(30)32-26-22-8-6-4-2/h6,8,24-25H,3-5,7,9-23,26-27H2,1-2H3/b8-6-,25-24+
InChIKey VHNHKPSIDKQGNI-AZCAHVIHSA-N
Molecular Weight 464.731 g/mol
SMILES C(\C=C\C(OCCCCCCCCCCCCCCCCCCC)=O)(OCC\C=C/CC)=O