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Fumaric acid, monoamide, N-(2-methoxy-5-chlorophenyl)-, hexyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, monoamide, N-(2-methoxy-5-chlorophenyl)-, hexyl ester
SpectraBase Compound ID 9HAJKfIAEWW
InChI InChI=1S/C17H22ClNO4/c1-3-4-5-6-11-23-17(21)10-9-16(20)19-14-12-13(18)7-8-15(14)22-2/h7-10,12H,3-6,11H2,1-2H3,(H,19,20)/b10-9+
InChIKey VPEJHGWDUIYOQU-MDZDMXLPSA-N
Mol Weight 339.82 g/mol
Molecular Formula C17H22ClNO4
Exact Mass 339.123736 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1bCSkCYTSw0
Name Fumaric acid, monoamide, N-(2-methoxy-5-chlorophenyl)-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 339.123735888 u
Formula C17H22ClNO4
InChI InChI=1S/C17H22ClNO4/c1-3-4-5-6-11-23-17(21)10-9-16(20)19-14-12-13(18)7-8-15(14)22-2/h7-10,12H,3-6,11H2,1-2H3,(H,19,20)/b10-9+
InChIKey VPEJHGWDUIYOQU-MDZDMXLPSA-N
Molecular Weight 339.819 g/mol
SMILES C(\C=C\C(NC1=CC(=CC=C1OC)Cl)=O)(OCCCCCC)=O