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Phenyl trifluoromethyl sulfide

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Phenyl trifluoromethyl sulfide
SpectraBase Compound ID 9aiIKPamWq7
InChI InChI=1S/C7H5F3S/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H
InChIKey YQQKTCBMKQQOSM-UHFFFAOYSA-N
Mol Weight 178.17 g/mol
Molecular Formula C7H5F3S
Exact Mass 178.006406 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dny5CUQTfOU
Name PHENYL-TRIFLUOROMETHYL-SULFIDE
Compound Number 5F
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H5F3S
InChI InChI=1S/C7H5F3S/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H
InChIKey YQQKTCBMKQQOSM-UHFFFAOYSA-N
Literature Reference Author T.BILLARD,N.ROQUES,B.R.LANGLOIS
Literature Reference Citation J.ORG.CHEM.,64,3813(1999)
Literature Reference DOI 10.1021/jo980649a
Molecular Weight 178.172 g/mol
Sample ID 59402
Solvent CDCl3