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Isonipecotic acid, N-(4-nitrobenzoyl)-, hexyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(4-nitrobenzoyl)-, hexyl ester
SpectraBase Compound ID 77fAk5NtVjP
InChI InChI=1S/C19H26N2O5/c1-2-3-4-5-14-26-19(23)16-10-12-20(13-11-16)18(22)15-6-8-17(9-7-15)21(24)25/h6-9,16H,2-5,10-14H2,1H3
InChIKey FHPSLQRNNXUGPE-UHFFFAOYSA-N
Mol Weight 362.43 g/mol
Molecular Formula C19H26N2O5
Exact Mass 362.184172 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BVghfkWwPqJ
Name Isonipecotic acid, N-(4-nitrobenzoyl)-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 362.184171940 u
Formula C19H26N2O5
InChI InChI=1S/C19H26N2O5/c1-2-3-4-5-14-26-19(23)16-10-12-20(13-11-16)18(22)15-6-8-17(9-7-15)21(24)25/h6-9,16H,2-5,10-14H2,1H3
InChIKey FHPSLQRNNXUGPE-UHFFFAOYSA-N
Molecular Weight 362.426 g/mol
SMILES CCCCCCOC(C1CCN(C(=O)C2=CC=C(C=C2)N(=O)=O)CC1)=O