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7-Methyl-7-(p-tolylsulfonyl)bicyclo[4.2.0]octa-1,3,5-triene
SpectraBase Compound ID DahlaWJrLKe
InChI InChI=1S/C16H16O2S/c1-12-7-9-14(10-8-12)19(17,18)16(2)11-13-5-3-4-6-15(13)16/h3-10H,11H2,1-2H3
InChIKey NRYNNEWHOBRMNZ-UHFFFAOYSA-N
Mol Weight 272.36 g/mol
Molecular Formula C16H16O2S
Exact Mass 272.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3L7VNHMBWW4
Name 7-Methyl-7-(p-tolylsulfonyl)bicyclo[4.2.0]octa-1,3,5-triene
Alternate Name(s) 7-Methyl-7-tosyl-bicyclo[4.2.0]octa-1,3,5-triene 7-Methyl-7-(4-methylphenyl)sulfonylbicyclo[4.2.0]octa-1,3,5-triene
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Formula C16H16O2S
InChI InChI=1S/C16H16O2S/c1-12-7-9-14(10-8-12)19(17,18)16(2)11-13-5-3-4-6-15(13)16/h3-10H,11H2,1-2H3
InChIKey NRYNNEWHOBRMNZ-UHFFFAOYSA-N
Molecular Weight 272.362 g/mol
SMILES C1(S(c2ccc(cc2)C)(=O)=O)(c2ccccc2C1)C
SPLASH splash10-014i-1900000000-e9621952f365b397dc57
Source of Spectrum J-63-2091-21
Wiley ID 1276238