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N-benzoyl-5,5,5-trifluoroleucine

View entire compound with spectra: 1 MS (GC)

N-benzoyl-5,5,5-trifluoroleucine
SpectraBase Compound ID 6lw1bVUjefT
InChI InChI=1S/C13H14F3NO3/c1-8(13(14,15)16)7-10(12(19)20)17-11(18)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,17,18)(H,19,20)/t8?,10-/m0/s1
InChIKey SHTWYOMIBKOHKW-HTLJXXAVSA-N
Mol Weight 289.25 g/mol
Molecular Formula C13H14F3NO3
Exact Mass 289.092578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7lbAMuhbEaE
Name N-benzoyl-5,5,5-trifluoroleucine
Alternate Name(s) (2S)-2-(benzoylamino)-5,5,5-trifluoro-4-methylpentanoic acid (2S)-2-benzamido-5,5,5-trifluoro-4-methylpentanoic acid (2S)-2-benzamido-5,5,5-trifluoro-4-methyl-pentanoic acid (2S)-2-benzamido-5,5,5-tris(fluoranyl)-4-methyl-pentanoic acid
CAS Registry Number 122565-37-1
Comments Less than 3 mono-isotopic peaks
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Formula C13H14F3NO3
InChI InChI=1S/C13H14F3NO3/c1-8(13(14,15)16)7-10(12(19)20)17-11(18)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,17,18)(H,19,20)/t8?,10-/m0/s1
InChIKey SHTWYOMIBKOHKW-HTLJXXAVSA-N
Molecular Weight 289.254 g/mol
SMILES N(C(=O)c1ccccc1)[C@](C(=O)O)(CC(C(F)(F)F)C)[H]
SPLASH splash10-0a4i-0900000000-82f8452450208c664ef9
Source of Spectrum J-54-4517-11
Wiley ID 1292470