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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(3-methoxybenzoyl)-, isohexyl ester
SpectraBase Compound ID Atb0Rk4idqW
InChI InChI=1S/C20H29NO4/c1-15(2)6-5-13-25-20(23)16-9-11-21(12-10-16)19(22)17-7-4-8-18(14-17)24-3/h4,7-8,14-16H,5-6,9-13H2,1-3H3
InChIKey HOHSXULALIUSQO-UHFFFAOYSA-N
Mol Weight 347.46 g/mol
Molecular Formula C20H29NO4
Exact Mass 347.209658 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 AekX0JTncLz
Name Isonipecotic acid, N-(3-methoxybenzoyl)-, isohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.209658414 u
Formula C20H29NO4
InChI InChI=1S/C20H29NO4/c1-15(2)6-5-13-25-20(23)16-9-11-21(12-10-16)19(22)17-7-4-8-18(14-17)24-3/h4,7-8,14-16H,5-6,9-13H2,1-3H3
InChIKey HOHSXULALIUSQO-UHFFFAOYSA-N
Molecular Weight 347.455 g/mol
SMILES COC1=CC=CC(=C1)C(N1CCC(C(OCCCC(C)C)=O)CC1)=O