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

View entire compound with spectra: 1 NMR

Fumaric acid, monoamide, N-(3,4-dimethylphenyl)-, heptyl ester
SpectraBase Compound ID CZJgliT9sp
InChI InChI=1S/C19H27NO3/c1-4-5-6-7-8-13-23-19(22)12-11-18(21)20-17-10-9-15(2)16(3)14-17/h9-12,14H,4-8,13H2,1-3H3,(H,20,21)/b12-11+
InChIKey LEMDBIWJUJPWNW-VAWYXSNFSA-N
Mol Weight 317.43 g/mol
Molecular Formula C19H27NO3
Exact Mass 317.199094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CsWKQxvNVUK
Name Fumaric acid, monoamide, N-(3,4-dimethylphenyl)-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 317.199093730 u
Formula C19H27NO3
InChI InChI=1S/C19H27NO3/c1-4-5-6-7-8-13-23-19(22)12-11-18(21)20-17-10-9-15(2)16(3)14-17/h9-12,14H,4-8,13H2,1-3H3,(H,20,21)/b12-11+
InChIKey LEMDBIWJUJPWNW-VAWYXSNFSA-N
Molecular Weight 317.429 g/mol
SMILES C(\C=C\C(NC1=CC=C(C(=C1)C)C)=O)(OCCCCCCC)=O