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Fumaric acid, 2-heptyl octadecyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2-heptyl octadecyl ester
SpectraBase Compound ID DSYR4SCpP8p
InChI InChI=1S/C29H54O4/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-26-32-28(30)24-25-29(31)33-27(3)23-21-7-5-2/h24-25,27H,4-23,26H2,1-3H3/b25-24+
InChIKey WSRUVBRJYDQFCT-OCOZRVBESA-N
Mol Weight 466.7 g/mol
Molecular Formula C29H54O4
Exact Mass 466.40221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JeaQaIGhhi2
Name Fumaric acid, 2-heptyl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 466.402210215 u
Formula C29H54O4
InChI InChI=1S/C29H54O4/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-26-32-28(30)24-25-29(31)33-27(3)23-21-7-5-2/h24-25,27H,4-23,26H2,1-3H3/b25-24+
InChIKey WSRUVBRJYDQFCT-OCOZRVBESA-N
Molecular Weight 466.747 g/mol
SMILES C(OC(C)CCCCC)(\C=C\C(OCCCCCCCCCCCCCCCCCC)=O)=O