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

*Links on SpectraBase are not permalinks.

L-Alanine, N-(4-trifluoromethylbenzoyl)-, pentyl ester

View entire compound with spectra: 1 NMR

L-Alanine, N-(4-trifluoromethylbenzoyl)-, pentyl ester
SpectraBase Compound ID F4Ay2lfs1oJ
InChI InChI=1S/C16H20F3NO3/c1-3-4-5-10-23-15(22)11(2)20-14(21)12-6-8-13(9-7-12)16(17,18)19/h6-9,11H,3-5,10H2,1-2H3,(H,20,21)
InChIKey NMBDCLYITWATEM-UHFFFAOYSA-N
Mol Weight 331.34 g/mol
Molecular Formula C16H20F3NO3
Exact Mass 331.139528 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 6ZSvJPTtfKG
Name L-Alanine, N-(4-trifluoromethylbenzoyl)-, pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.139527994 u
Formula C16H20F3NO3
InChI InChI=1S/C16H20F3NO3/c1-3-4-5-10-23-15(22)11(2)20-14(21)12-6-8-13(9-7-12)16(17,18)19/h6-9,11H,3-5,10H2,1-2H3,(H,20,21)
InChIKey NMBDCLYITWATEM-UHFFFAOYSA-N
Molecular Weight 331.335 g/mol
SMILES C1=CC(=CC=C1C(NC(C)C(OCCCCC)=O)=O)C(F)(F)F