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methyl (2S,3R)-2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxy-butanoate
SpectraBase Compound ID InPJQj7xBcd
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+/m1/s1
InChIKey SFJIGLHTQVZXQY-DMTCNVIQSA-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 KkadO0TtJ6P
Name methyl (2S,3R)-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+/m1/s1
InChIKey SFJIGLHTQVZXQY-DMTCNVIQSA-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 splash10-0udi-4900000000-9d13e5649ba6801f01dc
Source of Spectrum G4-76-133-2S,3R-7
Wiley ID 1854858