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

*Links on SpectraBase are not permalinks.

L-Valine, N-(3-phenylpropionyl)-, hexyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-(3-phenylpropionyl)-, hexyl ester
SpectraBase Compound ID 9fQzJVK4FMI
InChI InChI=1S/C20H31NO3/c1-4-5-6-10-15-24-20(23)19(16(2)3)21-18(22)14-13-17-11-8-7-9-12-17/h7-9,11-12,16,19H,4-6,10,13-15H2,1-3H3,(H,21,22)
InChIKey XPEPTRGJXJNZIG-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 3yXO9RlbknO
Name L-Valine, N-(3-phenylpropionyl)-, 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/c1-4-5-6-10-15-24-20(23)19(16(2)3)21-18(22)14-13-17-11-8-7-9-12-17/h7-9,11-12,16,19H,4-6,10,13-15H2,1-3H3,(H,21,22)
InChIKey XPEPTRGJXJNZIG-UHFFFAOYSA-N
Molecular Weight 333.472 g/mol
SMILES C(C)(C(NC(=O)CCC1=CC=CC=C1)C(=O)OCCCCCC)C