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

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(2-chlorobenzoyl)-, hexyl ester
SpectraBase Compound ID G8xbi5agMQE
InChI InChI=1S/C19H26ClNO3/c1-2-3-4-7-14-24-19(23)15-10-12-21(13-11-15)18(22)16-8-5-6-9-17(16)20/h5-6,8-9,15H,2-4,7,10-14H2,1H3
InChIKey MLLWMKNCLAFBEY-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 AUKdIFUGuft
Name Isonipecotic acid, N-(2-chlorobenzoyl)-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 351.160121398 u
Formula C19H26ClNO3
InChI InChI=1S/C19H26ClNO3/c1-2-3-4-7-14-24-19(23)15-10-12-21(13-11-15)18(22)16-8-5-6-9-17(16)20/h5-6,8-9,15H,2-4,7,10-14H2,1H3
InChIKey MLLWMKNCLAFBEY-UHFFFAOYSA-N
Molecular Weight 351.874 g/mol
SMILES CCCCCCOC(C1CCN(C(C2=C(C=CC=C2)Cl)=O)CC1)=O