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Methyl 4-Oxo-1-(trifluoroacetyl)piperidine-3-carboxylate
SpectraBase Compound ID EFk7b7B4Cv6
InChI InChI=1S/C9H10F3NO4/c1-17-7(15)5-4-13(3-2-6(5)14)8(16)9(10,11)12/h5H,2-4H2,1H3
InChIKey SGEAKNIOVNOOOA-UHFFFAOYSA-N
Mol Weight 253.18 g/mol
Molecular Formula C9H10F3NO4
Exact Mass 253.056192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JzVKYdEG9LL
Name Methyl 4-Oxo-1-(trifluoroacetyl)piperidine-3-carboxylate
Appearance Colorless oil
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Exact Mass 253.056192291 u
Formula C9H10F3NO4
InChI InChI=1S/C9H10F3NO4/c1-17-7(15)5-4-13(3-2-6(5)14)8(16)9(10,11)12/h5H,2-4H2,1H3
InChIKey SGEAKNIOVNOOOA-UHFFFAOYSA-N
Instrument Name Thermo Scientific DFS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201801102
Molecular Weight 253.177 g/mol
Quality 316
Reported Formula C9H10F3NO4
SMILES C1C(C(CN(C1)C(C(F)(F)F)=O)C(=O)OC)=O
SPLASH splash10-0fk9-5490000000-08486bd9d70a5ab8dbb0
Source of Spectrum K1-2018-5527-8b (DOI: 10.1002/ejoc.201801102)
Thin-Layer Chromatography 0.33 (SiO2, hexanes/MTBE, 2:1)
Wiley ID 1894366