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(3S)-3-deuterio-4-isopropoxy-4-keto-3-[(2,2,2-trifluoroacetyl)amino]butyric acid
SpectraBase Compound ID J0bacmg0Bao
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/i5D
InChIKey FBIKKQGUBUAWFQ-VXNMYXNSSA-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 CCjb354brfZ
Name (3S)-3-deuterio-4-isopropoxy-4-keto-3-[(2,2,2-trifluoroacetyl)amino]butyric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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/i5D
InChIKey FBIKKQGUBUAWFQ-VXNMYXNSSA-N
Molecular Weight 272.198 g/mol
SMILES N([C@@](CC(=O)O)(C(OC(C)C)=O)[D])C(C(F)(F)F)=O
SPLASH splash10-0006-7910000000-c35b200854e4934590da
Source of Spectrum KC-0-686-10
Synonyms (3S)-3-deuterio-4-isopropoxy-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid (3S)-3-deuterio-4-oxidanylidene-4-propan-2-yloxy-3-[2,2,2-tris(fluoranyl)ethanoylamino]butanoic acid (3S)-3-deuterio-4-oxo-4-propan-2-yloxy-3-[(2,2,2-trifluoro-1-oxoethyl)amino]butanoic acid (3S)-3-deuterio-4-oxo-4-propan-2-yloxy-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid
Wiley ID 785296