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Fumaric acid, decyl heptyl ester
SpectraBase Compound ID 1FTI74Q3sNr
InChI InChI=1S/C21H38O4/c1-3-5-7-9-10-11-13-15-19-25-21(23)17-16-20(22)24-18-14-12-8-6-4-2/h16-17H,3-15,18-19H2,1-2H3/b17-16+
InChIKey JIGMKPDMGRUCSV-WUKNDPDISA-N
Mol Weight 354.5 g/mol
Molecular Formula C21H38O4
Exact Mass 354.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3hgN9meVk6M
Name Fumaric acid, decyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 354.277009700 u
Formula C21H38O4
InChI InChI=1S/C21H38O4/c1-3-5-7-9-10-11-13-15-19-25-21(23)17-16-20(22)24-18-14-12-8-6-4-2/h16-17H,3-15,18-19H2,1-2H3/b17-16+
InChIKey JIGMKPDMGRUCSV-WUKNDPDISA-N
Molecular Weight 354.531 g/mol
SMILES C(OC(\C=C\C(OCCCCCCC)=O)=O)CCCCCCCCC