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

View entire compound with spectra: 1 NMR, and 1 FTIR

Isonipecotic acid, N-(4-butylbenzoyl)-, decyl ester
SpectraBase Compound ID DlIobZlFeh2
InChI InChI=1S/C27H43NO3/c1-3-5-7-8-9-10-11-12-22-31-27(30)25-18-20-28(21-19-25)26(29)24-16-14-23(15-17-24)13-6-4-2/h14-17,25H,3-13,18-22H2,1-2H3
InChIKey LAYHVTSQNXWVRX-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 DLiF28e6FlS
Name Isonipecotic acid, N-(4-butylbenzoyl)-, decyl 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/c1-3-5-7-8-9-10-11-12-22-31-27(30)25-18-20-28(21-19-25)26(29)24-16-14-23(15-17-24)13-6-4-2/h14-17,25H,3-13,18-22H2,1-2H3
InChIKey LAYHVTSQNXWVRX-UHFFFAOYSA-N
Molecular Weight 429.645 g/mol
SMILES CCCCCCCCCCOC(C1CCN(C(=O)C2=CC=C(C=C2)CCCC)CC1)=O