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Isovaline, N-acetyl-4,4,4-trifluoro-, methyl ester
SpectraBase Compound ID 4buM8boc6oL
InChI InChI=1S/C8H12F3NO3/c1-5(13)12-7(2,6(14)15-3)4-8(9,10)11/h4H2,1-3H3,(H,12,13)
InChIKey TYFWNHSIBGJPQI-UHFFFAOYSA-N
Mol Weight 227.18 g/mol
Molecular Formula C8H12F3NO3
Exact Mass 227.076928 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LuNSzmKTXA0
Name Isovaline, N-acetyl-4,4,4-trifluoro-, methyl ester
CAS Registry Number 116006-94-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12F3NO3
InChI InChI=1S/C8H12F3NO3/c1-5(13)12-7(2,6(14)15-3)4-8(9,10)11/h4H2,1-3H3,(H,12,13)
InChIKey TYFWNHSIBGJPQI-UHFFFAOYSA-N
Molecular Weight 227.183 g/mol
SMILES N(C(CC(F)(F)F)(C(=O)OC)C)C(=O)C
SPLASH splash10-004i-2900000000-7fdc019cabd2400c76cc
Source of Spectrum J-53-4599-2
Synonyms Methyl 2-(acetylamino)-2-methyl-4,4,4-trifluorobutyrate Methyl 2-(acetylamino)-4,4,4-trifluoro-2-methylbutanoate
Wiley ID 1228353