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3-Methylbenzo[b]thianthrene-6,11-dione
SpectraBase Compound ID IM0osK8qnJD
InChI InChI=1S/C17H10O2S2/c1-9-6-7-12-13(8-9)21-17-15(19)11-5-3-2-4-10(11)14(18)16(17)20-12/h2-8H,1H3
InChIKey XNRNVGOHVYBOEE-UHFFFAOYSA-N
Mol Weight 310.39 g/mol
Molecular Formula C17H10O2S2
Exact Mass 310.012222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1JCwBBJ4bP2
Name 3-Methylbenzo[b]thianthrene-6,11-dione
Alternate Name(s) 3-Methylbenzo[b]thianthrene-6,11-quinone
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Formula C17H10O2S2
InChI InChI=1S/C17H10O2S2/c1-9-6-7-12-13(8-9)21-17-15(19)11-5-3-2-4-10(11)14(18)16(17)20-12/h2-8H,1H3
InChIKey XNRNVGOHVYBOEE-UHFFFAOYSA-N
Molecular Weight 310.385 g/mol
SMILES C12=C(Sc3c(S2)cc(cc3)C)C(=O)c2c(C1=O)cccc2
SPLASH splash10-03di-3049000000-4212674f5fd5d76ae10b
Source of Spectrum J-59-4628-7
Wiley ID 1311453