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Isonipecotic acid, N-(4-ethylbenzoyl)-, octyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(4-ethylbenzoyl)-, octyl ester
SpectraBase Compound ID 8H3Bw5l3Bdv
InChI InChI=1S/C23H35NO3/c1-3-5-6-7-8-9-18-27-23(26)21-14-16-24(17-15-21)22(25)20-12-10-19(4-2)11-13-20/h10-13,21H,3-9,14-18H2,1-2H3
InChIKey KNFVQHBMLKFWMM-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 Je7XCvnSC7w
Name Isonipecotic acid, N-(4-ethylbenzoyl)-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 373.261693988 u
Formula C23H35NO3
InChI InChI=1S/C23H35NO3/c1-3-5-6-7-8-9-18-27-23(26)21-14-16-24(17-15-21)22(25)20-12-10-19(4-2)11-13-20/h10-13,21H,3-9,14-18H2,1-2H3
InChIKey KNFVQHBMLKFWMM-UHFFFAOYSA-N
Molecular Weight 373.537 g/mol
SMILES CCCCCCCCOC(C1CCN(C(=O)C2=CC=C(C=C2)CC)CC1)=O