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

*Links on SpectraBase are not permalinks.
Ethyl (2S)-5,5,5-trifluoro-2-{[(2R)-1-phenylethyl]amino}-4-(trifluoromethyl)pentanoate (hydrochloride)
SpectraBase Compound ID 1FGlGhmP9y4
InChI InChI=1S/C16H19F6NO2.Cl/c1-3-25-14(24)12(9-13(15(17,18)19)16(20,21)22)23-10(2)11-7-5-4-6-8-11;/h4-8,10,12-13,23H,3,9H2,1-2H3;/t10?,12-;/m1./s1
InChIKey CLNILQYOUYKQLY-ULIKACSMSA-N
Mol Weight 406.78 g/mol
Molecular Formula C16H19ClF6NO2
Exact Mass 406.100851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID I32nDWOSN2m
Name Ethyl (2S)-5,5,5-trifluoro-2-{[(2R)-1-phenylethyl]amino}-4-(trifluoromethyl)pentanoate (hydrochloride)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20ClF6NO2
InChI InChI=1S/C16H19F6NO2.Cl/c1-3-25-14(24)12(9-13(15(17,18)19)16(20,21)22)23-10(2)11-7-5-4-6-8-11;/h4-8,10,12-13,23H,3,9H2,1-2H3;/t10?,12-;/m1./s1
InChIKey CLNILQYOUYKQLY-ULIKACSMSA-N
Molecular Weight 407.784 g/mol
SMILES Cl.N([C@](CC(C(F)(F)F)C(F)(F)F)(C(=O)OCC)[H])C(c1ccccc1)C
SPLASH splash10-0a4m-0953000000-67533869f8d353618e54
Source of Spectrum H-81-179-9
Wiley ID 1372494