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2,2,2-Trifluoro-1-((1S,2S)-2-(thiophen-2-yl)cyclopropyl)ethan-1-one
SpectraBase Compound ID FFiVJa07VSK
InChI InChI=1S/C9H7F3OS/c10-9(11,12)8(13)6-4-5(6)7-2-1-3-14-7/h1-3,5-6H,4H2/t5-,6-/m0/s1
InChIKey OSMHRCFCHVJPIW-WDSKDSINSA-N
Mol Weight 220.21 g/mol
Molecular Formula C9H7F3OS
Exact Mass 220.016971 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kx7IHvOTuSs
Name 2,2,2-Trifluoro-1-((1S,2S)-2-(thiophen-2-yl)cyclopropyl)ethan-1-one
Appearance Yellow oil
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Exact Mass 220.016970507 u
Formula C9H7F3OS
InChI InChI=1S/C9H7F3OS/c10-9(11,12)8(13)6-4-5(6)7-2-1-3-14-7/h1-3,5-6H,4H2/t5-,6-/m0/s1
InChIKey OSMHRCFCHVJPIW-WDSKDSINSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/anie.201804614
Molecular Weight 220.209 g/mol
Quality 240
Reported Formula C9H7OSF3
SMILES C1([C@@]2([C@](C2)(C(C(F)(F)F)=O)[H])[H])=CC=CS1
SPLASH splash10-00di-4920000000-f08f7ee538a239721514
Source of Spectrum ACI-57-SM30-4f (DOI: 10.1002/anie.201804614)
Thin-Layer Chromatography 0.50 (petroleum ether/EtOAc, 19:1)
Wiley ID 1893059