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Fumaric acid, monoamide, N-(2,5-dimethoxyphenyl)-, isohexyl ester

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Fumaric acid, monoamide, N-(2,5-dimethoxyphenyl)-, isohexyl ester
SpectraBase Compound ID 6EwJzfl03Wr
InChI InChI=1S/C18H25NO5/c1-13(2)6-5-11-24-18(21)10-9-17(20)19-15-12-14(22-3)7-8-16(15)23-4/h7-10,12-13H,5-6,11H2,1-4H3,(H,19,20)/b10-9+
InChIKey JNEAFMKKCWENMM-MDZDMXLPSA-N
Mol Weight 335.4 g/mol
Molecular Formula C18H25NO5
Exact Mass 335.173273 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IPxAEXwM89a
Name Fumaric acid, monoamide, N-(2,5-dimethoxyphenyl)-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 335.173272904 u
Formula C18H25NO5
InChI InChI=1S/C18H25NO5/c1-13(2)6-5-11-24-18(21)10-9-17(20)19-15-12-14(22-3)7-8-16(15)23-4/h7-10,12-13H,5-6,11H2,1-4H3,(H,19,20)/b10-9+
InChIKey JNEAFMKKCWENMM-MDZDMXLPSA-N
Molecular Weight 335.400 g/mol
SMILES C(\C=C\C(NC1=CC(=CC=C1OC)OC)=O)(OCCCC(C)C)=O