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Fumaric acid, monoamide, N-(3,4-dimethylphenyl)-, octyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, monoamide, N-(3,4-dimethylphenyl)-, octyl ester
SpectraBase Compound ID B5OW9eoTnsk
InChI InChI=1S/C20H29NO3/c1-4-5-6-7-8-9-14-24-20(23)13-12-19(22)21-18-11-10-16(2)17(3)15-18/h10-13,15H,4-9,14H2,1-3H3,(H,21,22)/b13-12+
InChIKey FKQIOWZCHFGZQE-OUKQBFOZSA-N
Mol Weight 331.46 g/mol
Molecular Formula C20H29NO3
Exact Mass 331.214744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EWd2uDIghDF
Name Fumaric acid, monoamide, N-(3,4-dimethylphenyl)-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 331.214743795 u
Formula C20H29NO3
InChI InChI=1S/C20H29NO3/c1-4-5-6-7-8-9-14-24-20(23)13-12-19(22)21-18-11-10-16(2)17(3)15-18/h10-13,15H,4-9,14H2,1-3H3,(H,21,22)/b13-12+
InChIKey FKQIOWZCHFGZQE-OUKQBFOZSA-N
Molecular Weight 331.456 g/mol
SMILES C(\C=C\C(NC1=CC=C(C(=C1)C)C)=O)(OCCCCCCCC)=O