SpectraBase Spectrum ID |
6spfVwqbQ0N |
Name |
(S,R)-Methyl 4,4,4-trifluoro-2-[(R)-1-phenylethylaminium]-3-(trifluoromethyl)butanoate chloride |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C14H16ClF6NO2 |
InChI |
InChI=1S/C14H15F6NO2.Cl/c1-8(9-6-4-3-5-7-9)21-10(12(22)23-2)11(13(15,16)17)14(18,19)20;/h3-8,10-11,21H,1-2H3;/t8?,10-;/m0./s1 |
InChIKey |
ZEHSHNPOJLDDGX-LQRGNCEWSA-N |
Molecular Weight |
379.730 g/mol |
SMILES |
Cl.N([C@@](C(C(F)(F)F)C(F)(F)F)(C(=O)OC)[H])C(c1ccccc1)C |
SPLASH |
splash10-0kk9-1974000000-d5f50b6ae2288b2edf54 |
Source of Spectrum |
SO-0-695-3 |
Wiley ID |
873627 |