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Fumaric acid, 2-methylcyclohex-1-enylmethyl pentadecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Fumaric acid, 2-methylcyclohex-1-enylmethyl pentadecyl ester
SpectraBase Compound ID 70JrY4BQAd7
InChI InChI=1S/C27H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-22-30-26(28)20-21-27(29)31-23-25-19-16-15-18-24(25)2/h20-21H,3-19,22-23H2,1-2H3/b21-20+
InChIKey HSVCVLJESMXCDZ-QZQOTICOSA-N
Mol Weight 434.7 g/mol
Molecular Formula C27H46O4
Exact Mass 434.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JWbTbmqe2ED
Name Fumaric acid, 2-methylcyclohex-1-enylmethyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 434.339609957 u
Formula C27H46O4
InChI InChI=1S/C27H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-22-30-26(28)20-21-27(29)31-23-25-19-16-15-18-24(25)2/h20-21H,3-19,22-23H2,1-2H3/b21-20+
InChIKey HSVCVLJESMXCDZ-QZQOTICOSA-N
Molecular Weight 434.661 g/mol
SMILES C1CCCC(=C1C)COC(\C=C\C(OCCCCCCCCCCCCCCC)=O)=O