For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Isonipecotic acid, N-(3-methoxybenzoyl)-, undecyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(3-methoxybenzoyl)-, undecyl ester
SpectraBase Compound ID Cnz9vJVtQK1
InChI InChI=1S/C25H39NO4/c1-3-4-5-6-7-8-9-10-11-19-30-25(28)21-15-17-26(18-16-21)24(27)22-13-12-14-23(20-22)29-2/h12-14,20-21H,3-11,15-19H2,1-2H3
InChIKey SMISCKNWQLDRLF-UHFFFAOYSA-N
Mol Weight 417.6 g/mol
Molecular Formula C25H39NO4
Exact Mass 417.287909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID gSEr8NPA2B
Name Isonipecotic acid, N-(3-methoxybenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.287908736 u
Formula C25H39NO4
InChI InChI=1S/C25H39NO4/c1-3-4-5-6-7-8-9-10-11-19-30-25(28)21-15-17-26(18-16-21)24(27)22-13-12-14-23(20-22)29-2/h12-14,20-21H,3-11,15-19H2,1-2H3
InChIKey SMISCKNWQLDRLF-UHFFFAOYSA-N
Molecular Weight 417.590 g/mol
SMILES COC1=CC=CC(=C1)C(N1CCC(C(OCCCCCCCCCCC)=O)CC1)=O