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(2R,3S)-2-deuterio-4-isopropoxy-4-keto-3-[(2,2,2-trifluoroacetyl)amino]butyric acid
SpectraBase Compound ID HMlBF0Vzn90
InChI InChI=1S/C9H12F3NO5/c1-4(2)18-7(16)5(3-6(14)15)13-8(17)9(10,11)12/h4-5H,3H2,1-2H3,(H,13,17)(H,14,15)/t5-/m0/s1/i3D/t3-,5+/m1
InChIKey FBIKKQGUBUAWFQ-KNAXMVBOSA-N
Mol Weight 272.2 g/mol
Molecular Formula C9H11DF3NO5
Exact Mass 272.073034 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7SWKVGVNHol
Name (2R,3S)-2-deuterio-4-isopropoxy-4-keto-3-[(2,2,2-trifluoroacetyl)amino]butyric acid
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Formula C9H11DF3NO5
InChI InChI=1S/C9H12F3NO5/c1-4(2)18-7(16)5(3-6(14)15)13-8(17)9(10,11)12/h4-5H,3H2,1-2H3,(H,13,17)(H,14,15)/t5-/m0/s1/i3D/t3-,5+/m1
InChIKey FBIKKQGUBUAWFQ-KNAXMVBOSA-N
Molecular Weight 272.198 g/mol
SMILES N([C@@]([C@](C(=O)O)([D])[H])(C(OC(C)C)=O)[H])C(C(F)(F)F)=O
SPLASH splash10-0006-9420000000-7803982fff3a0242dae4
Source of Spectrum KC-0-686-10
Synonyms (2R,3S)-2-deuterio-4-isopropoxy-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid (2R,3S)-2-deuterio-4-oxidanylidene-4-propan-2-yloxy-3-[2,2,2-tris(fluoranyl)ethanoylamino]butanoic acid (2R,3S)-2-deuterio-4-oxo-4-propan-2-yloxy-3-[(2,2,2-trifluoro-1-oxoethyl)amino]butanoic acid (2R,3S)-2-deuterio-4-oxo-4-propan-2-yloxy-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid
Wiley ID 785298