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

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Fumaric acid, monoamide, N-(2-chlorophenyl)-, hexyl ester
SpectraBase Compound ID HR6SPRdg84v
InChI InChI=1S/C16H20ClNO3/c1-2-3-4-7-12-21-16(20)11-10-15(19)18-14-9-6-5-8-13(14)17/h5-6,8-11H,2-4,7,12H2,1H3,(H,18,19)/b11-10+
InChIKey GGBOZQOOHNEUNF-ZHACJKMWSA-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 LemzMbVpv84
Name Fumaric acid, monoamide, N-(2-chlorophenyl)-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 309.113171205 u
Formula C16H20ClNO3
InChI InChI=1S/C16H20ClNO3/c1-2-3-4-7-12-21-16(20)11-10-15(19)18-14-9-6-5-8-13(14)17/h5-6,8-11H,2-4,7,12H2,1H3,(H,18,19)/b11-10+
InChIKey GGBOZQOOHNEUNF-ZHACJKMWSA-N
Molecular Weight 309.793 g/mol
SMILES C1=C(C(=CC=C1)Cl)NC(\C=C\C(OCCCCCC)=O)=O