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Fumaric acid, eicosyl trans-hex-3-enyl ester

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Fumaric acid, eicosyl trans-hex-3-enyl ester
SpectraBase Compound ID JSfvxEtWFKJ
InChI InChI=1S/C30H54O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-28-34-30(32)26-25-29(31)33-27-23-8-6-4-2/h6,8,25-26H,3-5,7,9-24,27-28H2,1-2H3/b8-6+,26-25+
InChIKey AQVUQOMWTPNHRB-XZCLYGNBSA-N
Mol Weight 478.8 g/mol
Molecular Formula C30H54O4
Exact Mass 478.40221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID kIkkfe7lc3
Name Fumaric acid, eicosyl trans-hex-3-enyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 478.402210215 u
Formula C30H54O4
InChI InChI=1S/C30H54O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-28-34-30(32)26-25-29(31)33-27-23-8-6-4-2/h6,8,25-26H,3-5,7,9-24,27-28H2,1-2H3/b8-6+,26-25+
InChIKey AQVUQOMWTPNHRB-XZCLYGNBSA-N
Molecular Weight 478.758 g/mol
SMILES C(OCC\C=C\CC)(\C=C\C(OCCCCCCCCCCCCCCCCCCCC)=O)=O