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

*Links on SpectraBase are not permalinks.

L-Valine, N-(4-fluorobenzoyl)-, heptadecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-(4-fluorobenzoyl)-, heptadecyl ester
SpectraBase Compound ID LYqqZ4CCNqE
InChI InChI=1S/C29H48FNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-34-29(33)27(24(2)3)31-28(32)25-19-21-26(30)22-20-25/h19-22,24,27H,4-18,23H2,1-3H3,(H,31,32)
InChIKey BPLUKPYHSJHXNA-UHFFFAOYSA-N
Mol Weight 477.7 g/mol
Molecular Formula C29H48FNO3
Exact Mass 477.361823 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 F7jydfV3siU
Name L-Valine, N-(4-fluorobenzoyl)-, heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 477.361822570 u
Formula C29H48FNO3
InChI InChI=1S/C29H48FNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-34-29(33)27(24(2)3)31-28(32)25-19-21-26(30)22-20-25/h19-22,24,27H,4-18,23H2,1-3H3,(H,31,32)
InChIKey BPLUKPYHSJHXNA-UHFFFAOYSA-N
Molecular Weight 477.705 g/mol
SMILES C1=C(C=CC(=C1)C(NC(C(C)C)C(=O)OCCCCCCCCCCCCCCCCC)=O)F