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Fumaric acid, 3,4-dimethylphenyl dodecyl ester

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Fumaric acid, 3,4-dimethylphenyl dodecyl ester
SpectraBase Compound ID IxyJgfEQ3gT
InChI InChI=1S/C24H36O4/c1-4-5-6-7-8-9-10-11-12-13-18-27-23(25)16-17-24(26)28-22-15-14-20(2)21(3)19-22/h14-17,19H,4-13,18H2,1-3H3/b17-16+
InChIKey UQJGCMAFYFAJSI-WUKNDPDISA-N
Mol Weight 388.5 g/mol
Molecular Formula C24H36O4
Exact Mass 388.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JzHxmpqagF0
Name Fumaric acid, 3,4-dimethylphenyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 388.261359635 u
Formula C24H36O4
InChI InChI=1S/C24H36O4/c1-4-5-6-7-8-9-10-11-12-13-18-27-23(25)16-17-24(26)28-22-15-14-20(2)21(3)19-22/h14-17,19H,4-13,18H2,1-3H3/b17-16+
InChIKey UQJGCMAFYFAJSI-WUKNDPDISA-N
Molecular Weight 388.548 g/mol
SMILES C(CCCCCOC(\C=C\C(OC1=CC=C(C)C(C)=C1)=O)=O)CCCCCC