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

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Fumaric acid, monoamide, N-(2-methoxy-5-chlorophenyl)-, isohexyl ester
SpectraBase Compound ID 5vMQAYdyHVm
InChI InChI=1S/C17H22ClNO4/c1-12(2)5-4-10-23-17(21)9-8-16(20)19-14-11-13(18)6-7-15(14)22-3/h6-9,11-12H,4-5,10H2,1-3H3,(H,19,20)/b9-8+
InChIKey FERLTROYRYKNDK-CMDGGOBGSA-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 S8hEOYNkcT
Name Fumaric acid, monoamide, N-(2-methoxy-5-chlorophenyl)-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 339.123735888 u
Formula C17H22ClNO4
InChI InChI=1S/C17H22ClNO4/c1-12(2)5-4-10-23-17(21)9-8-16(20)19-14-11-13(18)6-7-15(14)22-3/h6-9,11-12H,4-5,10H2,1-3H3,(H,19,20)/b9-8+
InChIKey FERLTROYRYKNDK-CMDGGOBGSA-N
Molecular Weight 339.819 g/mol
SMILES C(\C=C\C(NC1=CC(=CC=C1OC)Cl)=O)(OCCCC(C)C)=O