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[(1.alpha.,3.beta.,5.alpha.,6.alpha.)-3-Methyl-3-(phenylsulfonyl)-6-thiabicyclo[3.1.0]hexane 6-oxide
SpectraBase Compound ID IpUcxwusP08
InChI InChI=1S/C12H14O3S2/c1-12(7-10-11(8-12)16(10)13)17(14,15)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/t10-,11+,12+,16?
InChIKey DJXXLUAYGFQDSU-MIWSFCGYSA-N
Mol Weight 270.36 g/mol
Molecular Formula C12H14O3S2
Exact Mass 270.038437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EdKCrM2GF0i
Name [(1.alpha.,3.beta.,5.alpha.,6.alpha.)-3-Methyl-3-(phenylsulfonyl)-6-thiabicyclo[3.1.0]hexane 6-oxide
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Formula C12H14O3S2
InChI InChI=1S/C12H14O3S2/c1-12(7-10-11(8-12)16(10)13)17(14,15)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/t10-,11+,12+,16?
InChIKey DJXXLUAYGFQDSU-MIWSFCGYSA-N
Molecular Weight 270.361 g/mol
SMILES [C@@]12([S+]([C@]1(C[C@](C2)(S(=O)(=O)c1ccccc1)C)[H])[O-])[H]
SPLASH splash10-001i-9000000000-7f63c66cee51f46df5a8
Source of Spectrum KC-0-158-3
Wiley ID 829782