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

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(2-chlorobenzoyl)-, isohexyl ester
SpectraBase Compound ID AsQ0FyakDHu
InChI InChI=1S/C19H26ClNO3/c1-14(2)6-5-13-24-19(23)15-9-11-21(12-10-15)18(22)16-7-3-4-8-17(16)20/h3-4,7-8,14-15H,5-6,9-13H2,1-2H3
InChIKey PZJIBEYUVZLSPA-UHFFFAOYSA-N
Mol Weight 351.87 g/mol
Molecular Formula C19H26ClNO3
Exact Mass 351.160121 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CVns2Rbkr6q
Name Isonipecotic acid, N-(2-chlorobenzoyl)-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 351.160121398 u
Formula C19H26ClNO3
InChI InChI=1S/C19H26ClNO3/c1-14(2)6-5-13-24-19(23)15-9-11-21(12-10-15)18(22)16-7-3-4-8-17(16)20/h3-4,7-8,14-15H,5-6,9-13H2,1-2H3
InChIKey PZJIBEYUVZLSPA-UHFFFAOYSA-N
Molecular Weight 351.874 g/mol
SMILES CC(C)CCCOC(C1CCN(C(C2=C(C=CC=C2)Cl)=O)CC1)=O