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N-benzoyl-5,5,5-trifluoroleucine ethyl ester
SpectraBase Compound ID IVSbtIQ5WEL
InChI InChI=1S/C15H18F3NO3/c1-3-22-14(21)12(9-10(2)15(16,17)18)19-13(20)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,19,20)/t10?,12-/m0/s1
InChIKey JXGBZCRFAHXSSZ-KFJBMODSSA-N
Mol Weight 317.31 g/mol
Molecular Formula C15H18F3NO3
Exact Mass 317.123878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ZxnMMOasi2
Name N-benzoyl-5,5,5-trifluoroleucine ethyl ester
CAS Registry Number 122565-35-9
Comments Less than 3 mono-isotopic peaks
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Formula C15H18F3NO3
InChI InChI=1S/C15H18F3NO3/c1-3-22-14(21)12(9-10(2)15(16,17)18)19-13(20)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,19,20)/t10?,12-/m0/s1
InChIKey JXGBZCRFAHXSSZ-KFJBMODSSA-N
Molecular Weight 317.308 g/mol
SMILES N(C(=O)c1ccccc1)[C@@](CC(C(F)(F)F)C)(C(=O)OCC)[H]
SPLASH splash10-0a4i-0900000000-4379c36daaab7f344206
Source of Spectrum J-54-4517-11
Synonyms ethyl (2S)-2-(benzoylamino)-5,5,5-trifluoro-4-methylpentanoate (2S)-2-benzamido-5,5,5-trifluoro-4-methylpentanoic acid ethyl ester ethyl (2S)-2-benzamido-5,5,5-trifluoro-4-methylpentanoate ethyl (2S)-2-benzamido-5,5,5-trifluoro-4-methyl-pentanoate ethyl (2S)-2-benzamido-5,5,5-tris(fluoranyl)-4-methyl-pentanoate
Wiley ID 1317568