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Fumaric acid, decyl tetradec-3-enyl ester

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Fumaric acid, decyl tetradec-3-enyl ester
SpectraBase Compound ID TyQgn8Ux0G
InChI InChI=1S/C28H50O4/c1-3-5-7-9-11-13-14-15-16-18-20-22-26-32-28(30)24-23-27(29)31-25-21-19-17-12-10-8-6-4-2/h18,20,23-24H,3-17,19,21-22,25-26H2,1-2H3/b20-18+,24-23+
InChIKey OEKIRHNVSVYUEM-NRJODPMSSA-N
Mol Weight 450.7 g/mol
Molecular Formula C28H50O4
Exact Mass 450.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EOKWxp8WmUo
Name Fumaric acid, decyl tetradec-3-enyl ester
Comments Computed using HOSE algorithm
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Exact Mass 450.370910086 u
Formula C28H50O4
InChI InChI=1S/C28H50O4/c1-3-5-7-9-11-13-14-15-16-18-20-22-26-32-28(30)24-23-27(29)31-25-21-19-17-12-10-8-6-4-2/h18,20,23-24H,3-17,19,21-22,25-26H2,1-2H3/b20-18+,24-23+
InChIKey OEKIRHNVSVYUEM-NRJODPMSSA-N
Molecular Weight 450.704 g/mol
SMILES C(\C=C\C(OCCCCCCCCCC)=O)(OCC\C=C\CCCCCCCCCC)=O