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Fumaric acid, monoamide, N-(4-chlorophenyl)-, isohexyl ester

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Fumaric acid, monoamide, N-(4-chlorophenyl)-, isohexyl ester
SpectraBase Compound ID V1YmUg6pZR
InChI InChI=1S/C16H20ClNO3/c1-12(2)4-3-11-21-16(20)10-9-15(19)18-14-7-5-13(17)6-8-14/h5-10,12H,3-4,11H2,1-2H3,(H,18,19)/b10-9+
InChIKey KVRFFVINTCEBFU-MDZDMXLPSA-N
Mol Weight 309.79 g/mol
Molecular Formula C16H20ClNO3
Exact Mass 309.113171 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID mZEO1mFS3Q
Name Fumaric acid, monoamide, N-(4-chlorophenyl)-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 309.113171205 u
Formula C16H20ClNO3
InChI InChI=1S/C16H20ClNO3/c1-12(2)4-3-11-21-16(20)10-9-15(19)18-14-7-5-13(17)6-8-14/h5-10,12H,3-4,11H2,1-2H3,(H,18,19)/b10-9+
InChIKey KVRFFVINTCEBFU-MDZDMXLPSA-N
Molecular Weight 309.793 g/mol
SMILES C(\C=C\C(NC1=CC=C(C=C1)Cl)=O)(OCCCC(C)C)=O