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Fumaric acid, 2,5-dimethylphenyl pentadecyl ester

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

Fumaric acid, 2,5-dimethylphenyl pentadecyl ester
SpectraBase Compound ID LnJzWC3ZBuK
InChI InChI=1S/C27H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-30-26(28)19-20-27(29)31-25-22-23(2)17-18-24(25)3/h17-20,22H,4-16,21H2,1-3H3/b20-19+
InChIKey XNUGNDBJRDYLJS-FMQUCBEESA-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 IXkhEEV8iyR
Name Fumaric acid, 2,5-dimethylphenyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 430.308309828 u
Formula C27H42O4
InChI InChI=1S/C27H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-30-26(28)19-20-27(29)31-25-22-23(2)17-18-24(25)3/h17-20,22H,4-16,21H2,1-3H3/b20-19+
InChIKey XNUGNDBJRDYLJS-FMQUCBEESA-N
Molecular Weight 430.629 g/mol
SMILES C(\C=C\C(OC1=C(C=CC(=C1)C)C)=O)(OCCCCCCCCCCCCCCC)=O