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(S,R)-Methyl 4,4,4-trifluoro-2-[(R)-1-phenylethylaminium]-3-(trifluoromethyl)butanoate chloride
SpectraBase Compound ID BVTqtwsy8yy
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
Mol Weight 378.72 g/mol
Molecular Formula C14H15ClF6NO2
Exact Mass 378.06955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6spfVwqbQ0N
Name (S,R)-Methyl 4,4,4-trifluoro-2-[(R)-1-phenylethylaminium]-3-(trifluoromethyl)butanoate chloride
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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