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

*Links on SpectraBase are not permalinks.

D-Alanine, N-(3,4-difluorobenzoyl)-, octyl ester

View entire compound with spectra: 1 NMR

D-Alanine, N-(3,4-difluorobenzoyl)-, octyl ester
SpectraBase Compound ID 4LNw6MIHiWS
InChI InChI=1S/C18H25F2NO3/c1-3-4-5-6-7-8-11-24-18(23)13(2)21-17(22)14-9-10-15(19)16(20)12-14/h9-10,12-13H,3-8,11H2,1-2H3,(H,21,22)
InChIKey OSXWZAJWZWIYAP-UHFFFAOYSA-N
Mol Weight 341.4 g/mol
Molecular Formula C18H25F2NO3
Exact Mass 341.18025 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 5j3lXxssvrZ
Name D-Alanine, N-(3,4-difluorobenzoyl)-, octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.180249992 u
Formula C18H25F2NO3
InChI InChI=1S/C18H25F2NO3/c1-3-4-5-6-7-8-11-24-18(23)13(2)21-17(22)14-9-10-15(19)16(20)12-14/h9-10,12-13H,3-8,11H2,1-2H3,(H,21,22)
InChIKey OSXWZAJWZWIYAP-UHFFFAOYSA-N
Molecular Weight 341.399 g/mol
SMILES CC(NC(=O)C1=CC(=C(C=C1)F)F)C(OCCCCCCCC)=O