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1-((3-(Trifluoromethyl)benzyl)thio)propan-2-one
SpectraBase Compound ID 23ve7ksLMqj
InChI InChI=1S/C11H11F3OS/c1-8(15)6-16-7-9-3-2-4-10(5-9)11(12,13)14/h2-5H,6-7H2,1H3
InChIKey NRYGKCYAGIICBI-UHFFFAOYSA-N
Mol Weight 248.26 g/mol
Molecular Formula C11H11F3OS
Exact Mass 248.048271 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 536qlnwMkqx
Name 1-((3-(Trifluoromethyl)benzyl)thio)propan-2-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11F3OS
InChI InChI=1S/C11H11F3OS/c1-8(15)6-16-7-9-3-2-4-10(5-9)11(12,13)14/h2-5H,6-7H2,1H3
InChIKey NRYGKCYAGIICBI-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MSQP2010
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.17.24
Molecular Weight 248.263 g/mol
Reported Formula C11H11F3OS
SMILES CC(=O)CSCc1cc(ccc1)C(F)(F)F
SPLASH splash10-0a4l-0910000000-5ed7c24866353063d617
Source of Spectrum BJO-17-SM8-4d
Wiley ID 1858443