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Isonipecotic acid, N-benzoyl-, decyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-benzoyl-, decyl ester
SpectraBase Compound ID 9v6aIAWeVPB
InChI InChI=1S/C23H35NO3/c1-2-3-4-5-6-7-8-12-19-27-23(26)21-15-17-24(18-16-21)22(25)20-13-10-9-11-14-20/h9-11,13-14,21H,2-8,12,15-19H2,1H3
InChIKey NALQVVBIWDFION-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 FPsVQRST8B1
Name Isonipecotic acid, N-benzoyl-, decyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.261693988 u
Formula C23H35NO3
InChI InChI=1S/C23H35NO3/c1-2-3-4-5-6-7-8-12-19-27-23(26)21-15-17-24(18-16-21)22(25)20-13-10-9-11-14-20/h9-11,13-14,21H,2-8,12,15-19H2,1H3
InChIKey NALQVVBIWDFION-UHFFFAOYSA-N
Molecular Weight 373.537 g/mol
SMILES CCCCCCCCCCOC(C1CCN(C(=O)C2=CC=CC=C2)CC1)=O