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N,O-bis(trifluoroacetyl)allothreonin-methylester
SpectraBase Compound ID 4jI2jKgWrsN
InChI InChI=1S/C9H9F6NO5/c1-3(21-7(19)9(13,14)15)4(5(17)20-2)16-6(18)8(10,11)12/h3-4H,1-2H3,(H,16,18)/t3-,4-/m0/s1
InChIKey SFJIGLHTQVZXQY-IMJSIDKUSA-N
Mol Weight 325.16 g/mol
Molecular Formula C9H9F6NO5
Exact Mass 325.038491 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I9jsobbZHwG
Name methyl (2S,3S)-2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxy-butanoate
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Formula C9H9F6NO5
InChI InChI=1S/C9H9F6NO5/c1-3(21-7(19)9(13,14)15)4(5(17)20-2)16-6(18)8(10,11)12/h3-4H,1-2H3,(H,16,18)/t3-,4-/m0/s1
InChIKey SFJIGLHTQVZXQY-IMJSIDKUSA-N
Instrument Name Thermo Electron Trace DSQ
Ionization Type EI
Literature Reference DOI 10.1021/np300455a
Molecular Weight 325.163 g/mol
SMILES N([C@@]([C@@](OC(C(F)(F)F)=O)(C)[H])(C(=O)OC)[H])C(C(F)(F)F)=O
SPLASH splash10-05g0-9000000000-2002832c2b58ff546b14
Source of Spectrum G4-76-133-2S,3S-7
Wiley ID 1854859