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Fumaric acid, 3,5-dimethylphenyl pentadecyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 3,5-dimethylphenyl pentadecyl ester
SpectraBase Compound ID 5z2GV25B5J9
InChI InChI=1S/C27H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-30-26(28)17-18-27(29)31-25-21-23(2)20-24(3)22-25/h17-18,20-22H,4-16,19H2,1-3H3/b18-17+
InChIKey QPRQCBNNCZOMGR-ISLYRVAYSA-N
Mol Weight 430.6 g/mol
Molecular Formula C27H42O4
Exact Mass 430.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I6IflqcFWoG
Name Fumaric acid, 3,5-dimethylphenyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 430.308309828 u
Formula C27H42O4
InChI InChI=1S/C27H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-30-26(28)17-18-27(29)31-25-21-23(2)20-24(3)22-25/h17-18,20-22H,4-16,19H2,1-3H3/b18-17+
InChIKey QPRQCBNNCZOMGR-ISLYRVAYSA-N
Molecular Weight 430.629 g/mol
SMILES C(CCCCCCCCCOC(\C=C\C(OC1=CC(C)=CC(C)=C1)=O)=O)CCCCC