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7.alpha.-(Methoxycarbonyl)-(1H.beta.,6H.beta.)-11-thiabicyclo[4.4.1]undeca-2,4,8-triene 11,11-Dioxide
SpectraBase Compound ID 7hPYr3HePrb
InChI InChI=1S/C12H14O4S/c1-16-12(13)10-7-4-6-9-5-2-3-8-11(10)17(9,14)15/h2-5,7-11H,6H2,1H3/t9-,10+,11-/m0/s1
InChIKey VTPMHEISEWFYDM-AXFHLTTASA-N
Mol Weight 254.3 g/mol
Molecular Formula C12H14O4S
Exact Mass 254.06128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4mr3nVY9O5T
Name 7.alpha.-(Methoxycarbonyl)-(1H.beta.,6H.beta.)-11-thiabicyclo[4.4.1]undeca-2,4,8-triene 11,11-Dioxide
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Formula C12H14O4S
InChI InChI=1S/C12H14O4S/c1-16-12(13)10-7-4-6-9-5-2-3-8-11(10)17(9,14)15/h2-5,7-11H,6H2,1H3/t9-,10+,11-/m0/s1
InChIKey VTPMHEISEWFYDM-AXFHLTTASA-N
Molecular Weight 254.300 g/mol
SMILES [C@@]12(S([C@](CC=C[C@]2(C(=O)OC)[H])(C=CC=C1)[H])(=O)=O)[H]
SPLASH splash10-001i-0900000000-d7f6724f8f2bdf346d40
Source of Spectrum C-115-1394-42
Synonyms Methyl (1S,2S,6R)-11-thiabicyclo[4.4.1]undeca-3,7,9-triene-2-carboxylate 11,11-dioxide
Wiley ID 1257360