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Butanoic acid, 2-(acetylamino)-4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)-, methyl ester
SpectraBase Compound ID KskaUoM2bNO
InChI InChI=1S/C9H11F6NO3/c1-5(17)16-7(6(18)19-2,3-8(10,11)12)4-9(13,14)15/h3-4H2,1-2H3,(H,16,17)
InChIKey JBHCJAFECVUWMY-UHFFFAOYSA-N
Mol Weight 295.18 g/mol
Molecular Formula C9H11F6NO3
Exact Mass 295.064312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ZPmrrRwNyt
Name Butanoic acid, 2-(acetylamino)-4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)-, methyl ester
CAS Registry Number 116006-95-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11F6NO3
InChI InChI=1S/C9H11F6NO3/c1-5(17)16-7(6(18)19-2,3-8(10,11)12)4-9(13,14)15/h3-4H2,1-2H3,(H,16,17)
InChIKey JBHCJAFECVUWMY-UHFFFAOYSA-N
Molecular Weight 295.181 g/mol
SMILES N(C(CC(F)(F)F)(CC(F)(F)F)C(=O)OC)C(=O)C
SPLASH splash10-0006-8900000000-1414432c1f6c2e321b9c
Source of Spectrum J-53-4599-3
Synonyms Methyl 2-(acetylamino)-2-(2,2,2-trifluoroethyl)-4,4,4-trifluorobutyrate Methyl 2-(acetylamino)-4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoate
Wiley ID 1297927