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Isonipecotic acid, N-(2-chlorobenzoyl)-, octyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(2-chlorobenzoyl)-, octyl ester
SpectraBase Compound ID CsWCR8QXhh3
InChI InChI=1S/C21H30ClNO3/c1-2-3-4-5-6-9-16-26-21(25)17-12-14-23(15-13-17)20(24)18-10-7-8-11-19(18)22/h7-8,10-11,17H,2-6,9,12-16H2,1H3
InChIKey GZQWHCNEZNNRRL-UHFFFAOYSA-N
Mol Weight 379.93 g/mol
Molecular Formula C21H30ClNO3
Exact Mass 379.191422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G7q5hSz5ick
Name Isonipecotic acid, N-(2-chlorobenzoyl)-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 379.191421527 u
Formula C21H30ClNO3
InChI InChI=1S/C21H30ClNO3/c1-2-3-4-5-6-9-16-26-21(25)17-12-14-23(15-13-17)20(24)18-10-7-8-11-19(18)22/h7-8,10-11,17H,2-6,9,12-16H2,1H3
InChIKey GZQWHCNEZNNRRL-UHFFFAOYSA-N
Molecular Weight 379.928 g/mol
SMILES CCCCCCCCOC(C1CCN(C(C2=C(C=CC=C2)Cl)=O)CC1)=O