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1-methyl-1-(trifluoromethylsulfanyl)cyclohexane
SpectraBase Compound ID Au6gJcntuA0
InChI InChI=1S/C8H13F3S/c1-7(12-8(9,10)11)5-3-2-4-6-7/h2-6H2,1H3
InChIKey APEQQZPXEXBZOS-UHFFFAOYSA-N
Mol Weight 198.25 g/mol
Molecular Formula C8H13F3S
Exact Mass 198.069006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4v24xfh4Ps5
Name 1-methyl-1-(trifluoromethylsulfanyl)cyclohexane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 198.069006082 u
Formula C8H13F3S
GC Oven Program Oven temp 250oC
InChI InChI=1S/C8H13F3S/c1-7(12-8(9,10)11)5-3-2-4-6-7/h2-6H2,1H3
InChIKey APEQQZPXEXBZOS-UHFFFAOYSA-N
Inlet Type Split
Instrument Name GCMS
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/anie.201805927
Molecular Weight 198.247 g/mol
Quality 450
SMILES C1CC(CCC1)(C)SC(F)(F)F
SPLASH splash10-0002-9000000000-5a9ee3d374c94716d4c4
Source of Spectrum ACI-57-SM44-3ff (DOI: 10.1002/anie.201805927)
Wiley ID 1893213