4-[(trifluoromethyl)thio]acetophenone

SpectraBase Compound ID	3i6Qa20KxLP
InChI	InChI=1S/C9H7F3OS/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12/h2-5H,1H3
InChIKey	TXNFKHHYTGEPRL-UHFFFAOYSA-N Google Search
Mol Weight	220.21 g/mol
Molecular Formula	C9H7F3OS
Exact Mass	220.016971 g/mol

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SpectraBase Spectrum ID	Leysrc3yt7S
Name	1-[4-[(trifluoromethyl)thio]phenyl]ethanone
Appearance	Colorless oil
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	220.016970507 u
Formula	C9H7F3OS
GC Column	HP-5 (30 m x 320 mm, film thickness 0.25 micrometer)
GC Oven Program	Oven temp 300oC
InChI	InChI=1S/C9H7F3OS/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12/h2-5H,1H3
InChIKey	TXNFKHHYTGEPRL-UHFFFAOYSA-N
Instrument Name	Varian Saturn 2100 T
Ionization Type	EI
Literature Reference DOI	10.1002/chem.201503915
Molecular Weight	220.209 g/mol
Quality	273
Reported Formula	C9H7F3OS
SMILES	C1=CC(=CC=C1C(=O)C)SC(F)(F)F
SPLASH	splash10-0a4i-0290000000-36f255c5031a348c5e87
Source of Spectrum	QE-21-SM27-2h (DOI: 10.1002/chem.201503915)
Wiley ID	1907361