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2-(m-Methoxyphenylthio)cyclohexanone
SpectraBase Compound ID BLHbgbOJSpm
InChI InChI=1S/C13H16O2S/c1-15-10-5-4-6-11(9-10)16-13-8-3-2-7-12(13)14/h4-6,9,13H,2-3,7-8H2,1H3
InChIKey RAJQWFNCAGFSMN-UHFFFAOYSA-N
Mol Weight 236.33 g/mol
Molecular Formula C13H16O2S
Exact Mass 236.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gs8NMO7jTlr
Name 2-(m-Methoxyphenylthio)cyclohexanone
Comments Less than 3 mono-isotopic peaks
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Formula C13H16O2S
InChI InChI=1S/C13H16O2S/c1-15-10-5-4-6-11(9-10)16-13-8-3-2-7-12(13)14/h4-6,9,13H,2-3,7-8H2,1H3
InChIKey RAJQWFNCAGFSMN-UHFFFAOYSA-N
Molecular Weight 236.329 g/mol
SMILES C1(Sc2cc(OC)ccc2)C(=O)CCCC1
SPLASH splash10-000l-0890000000-4e08634864c89a247985
Source of Spectrum E1-58-1351-0
Synonyms 2-[(3-methoxyphenyl)thio]-1-cyclohexanone 2-(3-Methoxyphenyl)sulfanylcyclohexanone 2-(3-methoxyphenyl)sulfanylcyclohexan-1-one
Wiley ID 1661946