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Fumaric acid, monoamide, N-(3-chlorolphenyl)-, heptyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, monoamide, N-(3-chlorolphenyl)-, heptyl ester
SpectraBase Compound ID JHl9yO9ec8L
InChI InChI=1S/C17H22ClNO3/c1-2-3-4-5-6-12-22-17(21)11-10-16(20)19-15-9-7-8-14(18)13-15/h7-11,13H,2-6,12H2,1H3,(H,19,20)/b11-10+
InChIKey RQTTWJDMVFUKPF-ZHACJKMWSA-N
Mol Weight 323.82 g/mol
Molecular Formula C17H22ClNO3
Exact Mass 323.128821 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 999vdykwIoT
Name Fumaric acid, monoamide, N-(3-chlorolphenyl)-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 323.128821269 u
Formula C17H22ClNO3
InChI InChI=1S/C17H22ClNO3/c1-2-3-4-5-6-12-22-17(21)11-10-16(20)19-15-9-7-8-14(18)13-15/h7-11,13H,2-6,12H2,1H3,(H,19,20)/b11-10+
InChIKey RQTTWJDMVFUKPF-ZHACJKMWSA-N
Molecular Weight 323.820 g/mol
SMILES CCCCCCCOC(\C=C\C(NC1=CC(=CC=C1)Cl)=O)=O