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

*Links on SpectraBase are not permalinks.

L-Valine, N-(2-methoxybenzoyl)-, heptyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-(2-methoxybenzoyl)-, heptyl ester
SpectraBase Compound ID JdGLdkmJX4P
InChI InChI=1S/C20H31NO4/c1-5-6-7-8-11-14-25-20(23)18(15(2)3)21-19(22)16-12-9-10-13-17(16)24-4/h9-10,12-13,15,18H,5-8,11,14H2,1-4H3,(H,21,22)
InChIKey VASOEZVVYGEBNU-UHFFFAOYSA-N
Mol Weight 349.47 g/mol
Molecular Formula C20H31NO4
Exact Mass 349.225308 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 3oDi1wHoVBP
Name L-Valine, N-(2-methoxybenzoyl)-, heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 349.225308478 u
Formula C20H31NO4
InChI InChI=1S/C20H31NO4/c1-5-6-7-8-11-14-25-20(23)18(15(2)3)21-19(22)16-12-9-10-13-17(16)24-4/h9-10,12-13,15,18H,5-8,11,14H2,1-4H3,(H,21,22)
InChIKey VASOEZVVYGEBNU-UHFFFAOYSA-N
Molecular Weight 349.471 g/mol
SMILES C1=CC=CC(=C1OC)C(NC(C(C)C)C(=O)OCCCCCCC)=O