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3,11-Bis(acetylsulfanyl)-6,7,8,9-tetrahydro-5H-dibenzo[a,c]cyclononene
SpectraBase Compound ID 4ccd0gVPNGw
InChI InChI=1S/C21H22O2S2/c1-14(22)24-18-8-10-20-16(12-18)6-4-3-5-7-17-13-19(25-15(2)23)9-11-21(17)20/h8-13H,3-7H2,1-2H3
InChIKey QVAZXXDIRHNTDD-UHFFFAOYSA-N
Mol Weight 370.53 g/mol
Molecular Formula C21H22O2S2
Exact Mass 370.106122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4timD4hE7Bf
Name 3,11-Bis(acetylsulfanyl)-6,7,8,9-tetrahydro-5H-dibenzo[a,c]cyclononene
Alternate Name(s) Thioacetic acid S-(11-acetylsulfanyl-6,7,8,9-tetrahydro-5H-dibenzo[a,c]cyclononen-3-yl) ester
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Formula C21H22O2S2
InChI InChI=1S/C21H22O2S2/c1-14(22)24-18-8-10-20-16(12-18)6-4-3-5-7-17-13-19(25-15(2)23)9-11-21(17)20/h8-13H,3-7H2,1-2H3
InChIKey QVAZXXDIRHNTDD-UHFFFAOYSA-N
Molecular Weight 370.525 g/mol
SMILES c12-c3c(cc(SC(=O)C)cc3)CCCCCc1cc(SC(=O)C)cc2
SPLASH splash10-000i-0097000000-cc27361f23e9103373ec
Source of Spectrum U1-2010-130-5a
Wiley ID 1663293