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1-Methyl-4-oxatricyclo[5.2.1.0(2,6)]deca-3,5,8-trione 8-dithioacetal isomer
SpectraBase Compound ID 9IWvVBmJrTu
InChI InChI=1S/C12H14O3S2/c1-11-4-6(12(5-11)16-2-3-17-12)7-8(11)10(14)15-9(7)13/h6-8H,2-5H2,1H3/t6-,7?,8?,11-/m0/s1
InChIKey LXFRVZOHBFCSBQ-QMWUCLPTSA-N
Mol Weight 270.36 g/mol
Molecular Formula C12H14O3S2
Exact Mass 270.038437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AtpnykycblF
Name 1-Methyl-4-oxatricyclo[5.2.1.0(2,6)]deca-3,5,8-trione 8-dithioacetal isomer
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Formula C12H14O3S2
InChI InChI=1S/C12H14O3S2/c1-11-4-6(12(5-11)16-2-3-17-12)7-8(11)10(14)15-9(7)13/h6-8H,2-5H2,1H3/t6-,7?,8?,11-/m0/s1
InChIKey LXFRVZOHBFCSBQ-QMWUCLPTSA-N
Molecular Weight 270.361 g/mol
SMILES C1(C2[C@]3(C4(SCCS4)C[C@](C2C(O1)=O)(C)C3)[H])=O
SPLASH splash10-0006-0190000000-b824b29ae1230b9bb427
Source of Spectrum F-52-9986-17
Synonyms 1-Methyl-4-oxatricyclo[5.2.1.0(2,6)]deca-3,5,8-trione 8-dithioacetal 1'-methyl-4'-oxaspiro[1,3-dithiolane-2,8'-tricyclo[5.2.1.0(2,6)]decane]-3',5'-dione
Wiley ID 797843