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Fumaric acid, tetradec-3-enyl tridecyl ester

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Fumaric acid, tetradec-3-enyl tridecyl ester
SpectraBase Compound ID H9SVnaW7ExW
InChI InChI=1S/C31H56O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-35-31(33)27-26-30(32)34-28-24-22-20-18-16-14-12-10-8-6-4-2/h21,23,26-27H,3-20,22,24-25,28-29H2,1-2H3/b23-21+,27-26+
InChIKey HBJVRZVOMKFHMS-LSSFEAIKSA-N
Mol Weight 492.8 g/mol
Molecular Formula C31H56O4
Exact Mass 492.41786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AEBaH5z5qHr
Name Fumaric acid, tetradec-3-enyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 492.417860279 u
Formula C31H56O4
InChI InChI=1S/C31H56O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-35-31(33)27-26-30(32)34-28-24-22-20-18-16-14-12-10-8-6-4-2/h21,23,26-27H,3-20,22,24-25,28-29H2,1-2H3/b23-21+,27-26+
InChIKey HBJVRZVOMKFHMS-LSSFEAIKSA-N
Molecular Weight 492.785 g/mol
SMILES C(\C=C\C(OCCCCCCCCCCCCC)=O)(OCC\C=C\CCCCCCCCCC)=O