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1,9-Dihydroxy-2-(2'-methylsulfinylacetyl)acridine
SpectraBase Compound ID KBAxDwWPu1i
InChI InChI=1S/C16H13NO4S/c1-22(21)8-13(18)10-6-7-12-14(16(10)20)15(19)9-4-2-3-5-11(9)17-12/h2-7,20H,8H2,1H3,(H,17,19)
InChIKey IERPQFVJLLJBOC-UHFFFAOYSA-N
Mol Weight 315.34 g/mol
Molecular Formula C16H13NO4S
Exact Mass 315.056529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MbPzadDRZU
Name 1,9-Dihydroxy-2-(2'-methylsulfinylacetyl)acridine
Alternate Name(s) 1-(1,9-dihydroxy-2-acridinyl)-2-(methylsulfinyl)ethanone 1-Hydroxy-2-(2-methylsulfinyl-1-oxoethyl)-10H-acridin-9-one 2-(2-Methylsulfinylethanoyl)-1-oxidanyl-10H-acridin-9-one
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Formula C16H13NO4S
InChI InChI=1S/C16H13NO4S/c1-22(21)8-13(18)10-6-7-12-14(16(10)20)15(19)9-4-2-3-5-11(9)17-12/h2-7,20H,8H2,1H3,(H,17,19)
InChIKey IERPQFVJLLJBOC-UHFFFAOYSA-N
Molecular Weight 315.343 g/mol
SMILES Oc1c2c(c(ccc2nc2ccccc12)C(CS(=O)C)=O)O
SPLASH splash10-014i-0229000000-0197f99c7575b2de3f42
Source of Spectrum KC-0-602-18
Wiley ID 787683