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(S)-1-Cycloheptenyl p-tolyl sulfoxide
SpectraBase Compound ID B0EmSovBCe5
InChI InChI=1S/C14H18OS/c1-12-8-10-14(11-9-12)16(15)13-6-4-2-3-5-7-13/h6,8-11H,2-5,7H2,1H3
InChIKey BBUSTOSMQDPRHE-UHFFFAOYSA-N
Mol Weight 234.36 g/mol
Molecular Formula C14H18OS
Exact Mass 234.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8tuEEAvPoEf
Name (S)-1-Cycloheptenyl p-tolyl sulfoxide
Alternate Name(s) (R)-1-Cycloheptenyl p-tolyl sulfoxide 1-cyclohepten-1-yl 4-methylphenyl sulfoxide 1-[(4-methylphenyl)sulfinyl]-1-cycloheptene
Comments Less than 3 mono-isotopic peaks
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Formula C14H18OS
InChI InChI=1S/C14H18OS/c1-12-8-10-14(11-9-12)16(15)13-6-4-2-3-5-7-13/h6,8-11H,2-5,7H2,1H3
InChIKey BBUSTOSMQDPRHE-UHFFFAOYSA-N
Molecular Weight 234.357 g/mol
SMILES C1([S@](c2ccc(cc2)C)=O)=CCCCCC1
SPLASH splash10-00e9-0970000000-307380e6d9338bbd8404
Source of Spectrum F-56-7940-43
Wiley ID 858719