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Fumaric acid, 2-methylpentyl nonadecyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2-methylpentyl nonadecyl ester
SpectraBase Compound ID BB7oHJPAcEf
InChI InChI=1S/C29H54O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-32-28(30)23-24-29(31)33-26-27(3)22-5-2/h23-24,27H,4-22,25-26H2,1-3H3/b24-23+
InChIKey TUBQHLFRMQZWHV-WCWDXBQESA-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 7NNTnpVYmCn
Name Fumaric acid, 2-methylpentyl nonadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 466.402210215 u
Formula C29H54O4
InChI InChI=1S/C29H54O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-32-28(30)23-24-29(31)33-26-27(3)22-5-2/h23-24,27H,4-22,25-26H2,1-3H3/b24-23+
InChIKey TUBQHLFRMQZWHV-WCWDXBQESA-N
Molecular Weight 466.747 g/mol
SMILES C(OCC(C)CCC)(\C=C\C(OCCCCCCCCCCCCCCCCCCC)=O)=O