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1-Oxo-7a-methyl-5-spiro[1',3'-dithiane]-3a,4-didehydroindane
SpectraBase Compound ID GS9oMu8WTrj
InChI InChI=1S/C13H18OS2/c1-12-5-6-13(15-7-2-8-16-13)9-10(12)3-4-11(12)14/h9H,2-8H2,1H3/t12-/m0/s1
InChIKey CQJFYVMOUMBNDO-LBPRGKRZSA-N
Mol Weight 254.41 g/mol
Molecular Formula C13H18OS2
Exact Mass 254.079908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3s4apnaDv7u
Name 1-Oxo-7a-methyl-5-spiro[1',3'-dithiane]-3a,4-didehydroindane
Alternate Name(s) (7a'S)-7a'-methyl-2',3',7',7a'-tetrahydrospiro[1,3-dithiane-2,5'-inden]-1'(6'H)-one (7'aS)-7'a-methyl-1'-spiro[1,3-dithiane-2,5'-2,3,6,7-tetrahydroindene]one
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Formula C13H18OS2
InChI InChI=1S/C13H18OS2/c1-12-5-6-13(15-7-2-8-16-13)9-10(12)3-4-11(12)14/h9H,2-8H2,1H3/t12-/m0/s1
InChIKey CQJFYVMOUMBNDO-LBPRGKRZSA-N
Molecular Weight 254.406 g/mol
SMILES C=12[C@@](C(=O)CC2)(CCC2(C1)SCCCS2)C
SPLASH splash10-0pc0-0970000000-e812aa505bd5596ebf38
Source of Spectrum SK-25-1379-4
Wiley ID 866717