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9-Phenyl-3-thia-9-azatricyclo[5.3.0.0(2,6)]decane-8,10-dione 3,3-dioxide
SpectraBase Compound ID KGQm1ByUK0R
InChI InChI=1S/C14H13NO4S/c16-13-10-9-6-7-20(18,19)12(9)11(10)14(17)15(13)8-4-2-1-3-5-8/h1-5,9-12H,6-7H2/t9-,10-,11-,12-/m1/s1
InChIKey PLIDPUHJSWYDJA-DDHJBXDOSA-N
Mol Weight 291.32 g/mol
Molecular Formula C14H13NO4S
Exact Mass 291.056529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DyLeO9VQYn3
Name 9-Phenyl-3-thia-9-azatricyclo[5.3.0.0(2,6)]decane-8,10-dione 3,3-dioxide
Alternate Name(s) (3aR,3bR,6aS,6bR)-5-phenyl-1,1-dioxo-hexahydro-1lambda*6*-thia-5-aza-cyclobutadicyclopentene-4,6-dione 5-Phenyltetrahydro-2H-thieno[2',3':3,4]cyclobuta[1,2-c]pyrrole-4,6(3H,5H)-dione 1,1-dioxide
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Formula C14H13NO4S
InChI InChI=1S/C14H13NO4S/c16-13-10-9-6-7-20(18,19)12(9)11(10)14(17)15(13)8-4-2-1-3-5-8/h1-5,9-12H,6-7H2/t9-,10-,11-,12-/m1/s1
InChIKey PLIDPUHJSWYDJA-DDHJBXDOSA-N
Molecular Weight 291.321 g/mol
SMILES C1(N(C([C@@]2([C@]3(CCS([C@]3([C@]12[H])[H])(=O)=O)[H])[H])=O)c1ccccc1)=O
SPLASH splash10-0059-9230000000-c3d7fcee69e865769c04
Source of Spectrum KC-0-1987-20
Wiley ID 781688