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L-Aspartic acid, 3-methyl-N-(trifluoroacetyl)-, 1-methyl ester, threo-
SpectraBase Compound ID BZm5PDmri6z
InChI InChI=1S/C8H10F3NO5/c1-3(5(13)14)4(6(15)17-2)12-7(16)8(9,10)11/h3-4H,1-2H3,(H,12,16)(H,13,14)/t3?,4-/m0/s1
InChIKey IIYJPTHHRSWHNW-BKLSDQPFSA-N
Mol Weight 257.17 g/mol
Molecular Formula C8H10F3NO5
Exact Mass 257.051107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7QRTlo2YmqF
Name L-Aspartic acid, 3-methyl-N-(trifluoroacetyl)-, 1-methyl ester, threo-
CAS Registry Number 115527-70-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H10F3NO5
InChI InChI=1S/C8H10F3NO5/c1-3(5(13)14)4(6(15)17-2)12-7(16)8(9,10)11/h3-4H,1-2H3,(H,12,16)(H,13,14)/t3?,4-/m0/s1
InChIKey IIYJPTHHRSWHNW-BKLSDQPFSA-N
Molecular Weight 257.165 g/mol
SMILES N(C(C(F)(F)F)=O)[C@@](C(C(=O)O)C)(C(=O)OC)[H]
SPLASH splash10-000t-0900000000-a43b6b55f133611e9657
Source of Spectrum F-43-5346-0
Synonyms (3S)-4-methoxy-2-methyl-4-oxo-3-[(trifluoroacetyl)amino]butanoic acid .alpha.-methyl N-trifluoroacetyl-(2S,3S)-3-methylaspartate
Wiley ID 1260476