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

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(4-butylbenzoyl)-, hexyl ester
SpectraBase Compound ID IbQbwJD7fdo
InChI InChI=1S/C23H35NO3/c1-3-5-7-8-18-27-23(26)21-14-16-24(17-15-21)22(25)20-12-10-19(11-13-20)9-6-4-2/h10-13,21H,3-9,14-18H2,1-2H3
InChIKey ARUHHGWRXXSMAM-UHFFFAOYSA-N
Mol Weight 373.5 g/mol
Molecular Formula C23H35NO3
Exact Mass 373.261694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5amudVJwCFb
Name Isonipecotic acid, N-(4-butylbenzoyl)-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 373.261693988 u
Formula C23H35NO3
InChI InChI=1S/C23H35NO3/c1-3-5-7-8-18-27-23(26)21-14-16-24(17-15-21)22(25)20-12-10-19(11-13-20)9-6-4-2/h10-13,21H,3-9,14-18H2,1-2H3
InChIKey ARUHHGWRXXSMAM-UHFFFAOYSA-N
Molecular Weight 373.537 g/mol
SMILES CCCCCCOC(C1CCN(C(=O)C2=CC=C(C=C2)CCCC)CC1)=O