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

*Links on SpectraBase are not permalinks.

L-Valine, N-(3-chloro-2-fluorobenzoyl)-, heptadecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-(3-chloro-2-fluorobenzoyl)-, heptadecyl ester
SpectraBase Compound ID 8xAZFdnNg9P
InChI InChI=1S/C29H47ClFNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-35-29(34)27(23(2)3)32-28(33)24-20-19-21-25(30)26(24)31/h19-21,23,27H,4-18,22H2,1-3H3,(H,32,33)
InChIKey BGUNZGXMCCLXBJ-UHFFFAOYSA-N
Mol Weight 512.2 g/mol
Molecular Formula C29H47ClFNO3
Exact Mass 511.32285 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 LddrHgowfJt
Name L-Valine, N-(3-chloro-2-fluorobenzoyl)-, heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 511.322850237 u
Formula C29H47ClFNO3
InChI InChI=1S/C29H47ClFNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-35-29(34)27(23(2)3)32-28(33)24-20-19-21-25(30)26(24)31/h19-21,23,27H,4-18,22H2,1-3H3,(H,32,33)
InChIKey BGUNZGXMCCLXBJ-UHFFFAOYSA-N
Molecular Weight 512.150 g/mol
SMILES C1=CC(=C(C(=C1)C(NC(C(C)C)C(=O)OCCCCCCCCCCCCCCCCC)=O)F)Cl