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Fumaric acid, 3-heptyl octadecyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 3-heptyl octadecyl ester
SpectraBase Compound ID Jh7C4Z30QP2
InChI InChI=1S/C29H54O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-32-28(30)24-25-29(31)33-27(6-3)23-8-5-2/h24-25,27H,4-23,26H2,1-3H3/b25-24+
InChIKey HHQRPSYJJSXGLN-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 FTz07UAc9DE
Name Fumaric acid, 3-heptyl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 466.402210215 u
Formula C29H54O4
InChI InChI=1S/C29H54O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-32-28(30)24-25-29(31)33-27(6-3)23-8-5-2/h24-25,27H,4-23,26H2,1-3H3/b25-24+
InChIKey HHQRPSYJJSXGLN-OCOZRVBESA-N
Molecular Weight 466.747 g/mol
SMILES C(OC(CC)CCCC)(\C=C\C(OCCCCCCCCCCCCCCCCCC)=O)=O