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

*Links on SpectraBase are not permalinks.

D-Alanine, N-(3-fluoro-5-trifluoromethylbenzoyl)-, decyl ester

View entire compound with spectra: 1 NMR

D-Alanine, N-(3-fluoro-5-trifluoromethylbenzoyl)-, decyl ester
SpectraBase Compound ID KEQCFCCJbQ
InChI InChI=1S/C21H29F4NO3/c1-3-4-5-6-7-8-9-10-11-29-20(28)15(2)26-19(27)16-12-17(21(23,24)25)14-18(22)13-16/h12-15H,3-11H2,1-2H3,(H,26,27)
InChIKey LCSBOBRWJUKBBN-UHFFFAOYSA-N
Mol Weight 419.46 g/mol
Molecular Formula C21H29F4NO3
Exact Mass 419.208356 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 AuShSF71qHE
Name D-Alanine, N-(3-fluoro-5-trifluoromethylbenzoyl)-, decyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.208356447 u
Formula C21H29F4NO3
InChI InChI=1S/C21H29F4NO3/c1-3-4-5-6-7-8-9-10-11-29-20(28)15(2)26-19(27)16-12-17(21(23,24)25)14-18(22)13-16/h12-15H,3-11H2,1-2H3,(H,26,27)
InChIKey LCSBOBRWJUKBBN-UHFFFAOYSA-N
Molecular Weight 419.461 g/mol
SMILES C(NC(=O)C1=CC(C(F)(F)F)=CC(=C1)F)(C(OCCCCCCCCCC)=O)C