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trans-3.lamda.(6),11.lamda.(6)-dithiatricyclo[11.3.1.1(5,9)]octadeca-1(17),13,15-triene-3,3,11,11-tetrone
SpectraBase Compound ID 3YCZ81bvJD
InChI InChI=1S/C16H22O4S2/c17-21(18)9-13-3-1-4-14(7-13)10-22(19,20)12-16-6-2-5-15(8-16)11-21/h1,3-4,7,15-16H,2,5-6,8-12H2
InChIKey KSDHHHZZVNOUIX-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 KrrSXCrWvJQ
Name trans-3.lamda.(6),11.lamda.(6)-dithiatricyclo[11.3.1.1(5,9)]octadeca-1(17),13,15-triene-3,3,11,11-tetrone
Alternate Name(s) cis-3.lamda.(6),11.lamda.(6)-dithiatricyclo[11.3.1.1(5,9)]octadeca-1(17),13,15-triene-3,3,11,11-tetrone 3,11-dithiatricyclo[11.3.1.1(5,9)]octadeca-1(17),13,15-triene 3,3,11,11-tetraoxide cis-3.lambda.(6),11.lambda.(6)-dithiatricyclo[11.3.1.1(5,9)]octadeca-1(17),13,15-triene-3,3,11,11-tetrone trans-3.lambda.(6),11.lambda.(6)-dithiatricyclo[11.3.1.1(5,9)]octadeca-1(17),13,15-triene-3,3,11,11-tetrone
Comments Less than 3 mono-isotopic peaks
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Formula C16H22O4S2
InChI InChI=1S/C16H22O4S2/c17-21(18)9-13-3-1-4-14(7-13)10-22(19,20)12-16-6-2-5-15(8-16)11-21/h1,3-4,7,15-16H,2,5-6,8-12H2
InChIKey KSDHHHZZVNOUIX-UHFFFAOYSA-N
Molecular Weight 342.468 g/mol
SMILES C1S(=O)(=O)CC2CC(CS(Cc3cc1ccc3)(=O)=O)CCC2
SPLASH splash10-0udi-0900000000-a52a15ed961681dcc550
Source of Spectrum KC-0-1728-22
Wiley ID 828459