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1,6-Benzoxathiocin-7(8H)-one, 2,3,4,5-tetrachloro-9,10-dihydro-9,9-dimethyl-
SpectraBase Compound ID HIfSNufGSOO
InChI InChI=1S/C12H10Cl4O2S/c1-12(2)3-5(17)9-6(4-12)18-10(15)7(13)8(14)11(16)19-9/h3-4H2,1-2H3/b10-7+,11-8+
InChIKey XRLKIIAJAWUFLT-AMMQDNIMSA-N
Mol Weight 360.1 g/mol
Molecular Formula C12H10Cl4O2S
Exact Mass 357.915562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ji7XHFKYl2U
Name 1,6-Benzoxathiocin-7(8H)-one, 2,3,4,5-tetrachloro-9,10-dihydro-9,9-dimethyl-
CAS Registry Number 117112-05-7
Comments Less than 3 mono-isotopic peaks
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Formula C12H10Cl4O2S
InChI InChI=1S/C12H10Cl4O2S/c1-12(2)3-5(17)9-6(4-12)18-10(15)7(13)8(14)11(16)19-9/h3-4H2,1-2H3/b10-7+,11-8+
InChIKey XRLKIIAJAWUFLT-AMMQDNIMSA-N
Molecular Weight 360.082 g/mol
SMILES C1=2O\C(=C/(\C(=C/(SC2C(CC(C)(C)C1)=O)Cl)Cl)Cl)Cl
SPLASH splash10-001i-9000000000-02c5c977e9509943468e
Source of Spectrum J-54-4826-3
Synonyms 2,3,4,5-tetrachloro-9,9-dimethyl-9,10-dihydro-1,6-benzoxathiocin-7(8H)-one 3,4,5,6-Tetrachloro-11,11-dimethyl-2-oxa-7-thiabicyclo[6.4.0]dodeca-1(8),3,5-trien-9-one
Wiley ID 1346742