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(3S)-4-isopropoxy-4-keto-3-[(2,2,2-trifluoroacetyl)amino]butyric acid
SpectraBase Compound ID ADghMQiZmc4
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
InChIKey FBIKKQGUBUAWFQ-YFKPBYRVSA-N
Mol Weight 271.19 g/mol
Molecular Formula C9H12F3NO5
Exact Mass 271.066757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8yFbyeNnMqc
Name (3S)-4-isopropoxy-4-keto-3-[(2,2,2-trifluoroacetyl)amino]butyric acid
Alternate Name(s) (3S)-4-isopropoxy-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid (3S)-4-oxidanylidene-4-propan-2-yloxy-3-[2,2,2-tris(fluoranyl)ethanoylamino]butanoic acid (3S)-4-oxo-4-propan-2-yloxy-3-[(2,2,2-trifluoro-1-oxoethyl)amino]butanoic acid (3S)-4-oxo-4-propan-2-yloxy-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid
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Formula C9H12F3NO5
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
InChIKey FBIKKQGUBUAWFQ-YFKPBYRVSA-N
Molecular Weight 271.192 g/mol
SMILES N(C(C(F)(F)F)=O)[C@@](CC(=O)O)(C(OC(C)C)=O)[H]
SPLASH splash10-0006-9000000000-b60130790a1ac75396b7
Source of Spectrum KC-0-686-10
Wiley ID 785299