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

*Links on SpectraBase are not permalinks.
.beta.-Alanine, N-(4-butylbenzoyl)-, hexyl ester
SpectraBase Compound ID knlTElRo1u
InChI InChI=1S/C20H31NO3/c1-3-5-7-8-16-24-19(22)14-15-21-20(23)18-12-10-17(11-13-18)9-6-4-2/h10-13H,3-9,14-16H2,1-2H3,(H,21,23)
InChIKey IKVIVCXRTAUNML-UHFFFAOYSA-N
Mol Weight 333.47 g/mol
Molecular Formula C20H31NO3
Exact Mass 333.230394 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 7xehzc6Dlwz
Name .beta.-Alanine, N-(4-butylbenzoyl)-, hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.230393859 u
Formula C20H31NO3
InChI InChI=1S/C20H31NO3/c1-3-5-7-8-16-24-19(22)14-15-21-20(23)18-12-10-17(11-13-18)9-6-4-2/h10-13H,3-9,14-16H2,1-2H3,(H,21,23)
InChIKey IKVIVCXRTAUNML-UHFFFAOYSA-N
Molecular Weight 333.472 g/mol
SMILES C1=CC(=CC=C1C(NCCC(OCCCCCC)=O)=O)CCCC