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3,12-Dithia-tricyclo[12.3.1.0*5,10*]octadeca-5,7,9-triene 3,3,12,12-tetraoxide
SpectraBase Compound ID BrXdQSmEEbs
InChI InChI=1S/C16H22O4S2/c17-21(18)9-13-4-3-5-14(8-13)10-22(19,20)12-16-7-2-1-6-15(16)11-21/h1-2,6-7,13-14H,3-5,8-12H2
InChIKey IPKWQYACMQXWJZ-UHFFFAOYSA-N
Mol Weight 342.47 g/mol
Molecular Formula C16H22O4S2
Exact Mass 342.095952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GwG1czbmkIl
Name 3,12-Dithia-tricyclo[12.3.1.0*5,10*]octadeca-5,7,9-triene 3,3,12,12-tetraoxide
Comments Less than 3 mono-isotopic peaks
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Formula C16H22O4S2
InChI InChI=1S/C16H22O4S2/c17-21(18)9-13-4-3-5-14(8-13)10-22(19,20)12-16-7-2-1-6-15(16)11-21/h1-2,6-7,13-14H,3-5,8-12H2
InChIKey IPKWQYACMQXWJZ-UHFFFAOYSA-N
Molecular Weight 342.468 g/mol
SMILES C1S(CC2CC(CS(Cc3c1cccc3)(=O)=O)CCC2)(=O)=O
SPLASH splash10-0udi-0900000000-a52a15ed961681dcc550
Source of Spectrum KC-0-1728-24
Synonyms 3,12-dithiatricyclo[12.3.1.0(5,10)]octadeca-5,7,9-triene 3,3,12,12-tetraoxide cis-3.lambda.(6),12.lambda.(6)-dithiatricyclo[12.3.1.105,10)]octadeca-5,7,9-triene-3,3,12,12-tetrone
Wiley ID 828457