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4-[(trifluoromethyl)thio]acetophenone

View entire compound with spectra: 2 MS (GC)

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
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 Eijd5PMVfxV
Name 4-[(trifluoromethyl)thio]acetophenone
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.016970507 u
Formula C9H7F3OS
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.201503524
Molecular Weight 220.209 g/mol
Quality 328
Reported Formula C9H7F3OS
SMILES C1(SC(F)(F)F)=CC=C(C=C1)C(=O)C
SPLASH splash10-0a4i-1190000000-104cff29f00720579fa6
Source of Spectrum QE-22-SM10-3n (DOI: 10.1002/chem.201503524)
Wiley ID 1902945