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3-(2-Phenylthioethynyl)cyclohexane
SpectraBase Compound ID CXOQEXJWNjW
InChI InChI=1S/C14H16S/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8H2
InChIKey SKAGFNNRGIIALQ-UHFFFAOYSA-N
Mol Weight 216.34 g/mol
Molecular Formula C14H16S
Exact Mass 216.097272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CANanSgZnkx
Name 3-(2-Phenylthioethynyl)cyclohexane
Alternate Name(s) Cyclohexylethynyl phenyl sulfide [(Cyclohexylethynyl)sulfanyl]benzene
Comments Less than 3 mono-isotopic peaks
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Formula C14H16S
InChI InChI=1S/C14H16S/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8H2
InChIKey SKAGFNNRGIIALQ-UHFFFAOYSA-N
Molecular Weight 216.342 g/mol
SMILES C1CC(CCC1)C#CSc1ccccc1
SPLASH splash10-014i-0090000000-097d093ce562a31c5a8d
Source of Spectrum F-49-10416-1
Wiley ID 789002