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

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(2-chlorobenzoyl)-, nonyl ester
SpectraBase Compound ID 469E1kmZtGw
InChI InChI=1S/C22H32ClNO3/c1-2-3-4-5-6-7-10-17-27-22(26)18-13-15-24(16-14-18)21(25)19-11-8-9-12-20(19)23/h8-9,11-12,18H,2-7,10,13-17H2,1H3
InChIKey DSIOWQNMOSTISL-UHFFFAOYSA-N
Mol Weight 394.0 g/mol
Molecular Formula C22H32ClNO3
Exact Mass 393.207072 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HFzKIuTuusq
Name Isonipecotic acid, N-(2-chlorobenzoyl)-, nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 393.207071591 u
Formula C22H32ClNO3
InChI InChI=1S/C22H32ClNO3/c1-2-3-4-5-6-7-10-17-27-22(26)18-13-15-24(16-14-18)21(25)19-11-8-9-12-20(19)23/h8-9,11-12,18H,2-7,10,13-17H2,1H3
InChIKey DSIOWQNMOSTISL-UHFFFAOYSA-N
Molecular Weight 393.955 g/mol
SMILES CCCCCCCCCOC(C1CCN(C(C2=C(C=CC=C2)Cl)=O)CC1)=O