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

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(2-chlorobenzoyl)-, heptyl ester
SpectraBase Compound ID Atc3ud35Gss
InChI InChI=1S/C20H28ClNO3/c1-2-3-4-5-8-15-25-20(24)16-11-13-22(14-12-16)19(23)17-9-6-7-10-18(17)21/h6-7,9-10,16H,2-5,8,11-15H2,1H3
InChIKey CARCIGJCMDMUCJ-UHFFFAOYSA-N
Mol Weight 365.9 g/mol
Molecular Formula C20H28ClNO3
Exact Mass 365.175771 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JzModMvZd2N
Name Isonipecotic acid, N-(2-chlorobenzoyl)-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 365.175771463 u
Formula C20H28ClNO3
InChI InChI=1S/C20H28ClNO3/c1-2-3-4-5-8-15-25-20(24)16-11-13-22(14-12-16)19(23)17-9-6-7-10-18(17)21/h6-7,9-10,16H,2-5,8,11-15H2,1H3
InChIKey CARCIGJCMDMUCJ-UHFFFAOYSA-N
Molecular Weight 365.901 g/mol
SMILES CCCCCCCOC(C1CCN(C(C2=C(C=CC=C2)Cl)=O)CC1)=O