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3,9-Bis(acetylsulfanyl)-6,7-dihydro-5H-dibenzo[a,c]cycloheptene
SpectraBase Compound ID 6jdyvnAevK8
InChI InChI=1S/C19H18O2S2/c1-12(20)22-16-6-8-18-14(10-16)4-3-5-15-11-17(23-13(2)21)7-9-19(15)18/h6-11H,3-5H2,1-2H3
InChIKey KDVFHMRYJOSMNN-UHFFFAOYSA-N
Mol Weight 342.47 g/mol
Molecular Formula C19H18O2S2
Exact Mass 342.074822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GPCGDtztUqx
Name 3,9-Bis(acetylsulfanyl)-6,7-dihydro-5H-dibenzo[a,c]cycloheptene
Alternate Name(s) Thioacetic acid S-(9-acetylsulfanyl-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-3-yl) ester
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Formula C19H18O2S2
InChI InChI=1S/C19H18O2S2/c1-12(20)22-16-6-8-18-14(10-16)4-3-5-15-11-17(23-13(2)21)7-9-19(15)18/h6-11H,3-5H2,1-2H3
InChIKey KDVFHMRYJOSMNN-UHFFFAOYSA-N
Molecular Weight 342.471 g/mol
SMILES c12-c3c(cc(SC(=O)C)cc3)CCCc1cc(SC(=O)C)cc2
SPLASH splash10-0a4i-0195000000-87831d22041ea749d646
Source of Spectrum U1-2010-129-3a
Wiley ID 1663301