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Isonipecotic acid, N-benzoyl-, tetradecyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-benzoyl-, tetradecyl ester
SpectraBase Compound ID 8taQvbFlRO4
InChI InChI=1S/C27H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-23-31-27(30)25-19-21-28(22-20-25)26(29)24-17-14-13-15-18-24/h13-15,17-18,25H,2-12,16,19-23H2,1H3
InChIKey IZQWGNCXRJSQRM-UHFFFAOYSA-N
Mol Weight 429.6 g/mol
Molecular Formula C27H43NO3
Exact Mass 429.324294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8N51I5zibyg
Name Isonipecotic acid, N-benzoyl-, tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 429.324294246 u
Formula C27H43NO3
InChI InChI=1S/C27H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-23-31-27(30)25-19-21-28(22-20-25)26(29)24-17-14-13-15-18-24/h13-15,17-18,25H,2-12,16,19-23H2,1H3
InChIKey IZQWGNCXRJSQRM-UHFFFAOYSA-N
Molecular Weight 429.645 g/mol
SMILES CCCCCCCCCCCCCCOC(C1CCN(C(=O)C2=CC=CC=C2)CC1)=O