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4-methoxy-8-(4-methylphenyl)sulfonyloxy-9H-pyrido[3,4-b]indole-1-carboxylic acid methyl ester
SpectraBase Compound ID AbLPA6TZFG2
InChI InChI=1S/C21H18N2O6S/c1-12-7-9-13(10-8-12)30(25,26)29-15-6-4-5-14-17-16(27-2)11-22-20(21(24)28-3)19(17)23-18(14)15/h4-11,23H,1-3H3
InChIKey ZFRKSFFIKMQUNN-UHFFFAOYSA-N
Mol Weight 426.44 g/mol
Molecular Formula C21H18N2O6S
Exact Mass 426.088557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AxxS1TSMz93
Name 4-methoxy-8-(4-methylphenyl)sulfonyloxy-9H-pyrido[3,4-b]indole-1-carboxylic acid methyl ester
Alternate Name(s) 4-methoxy-8-tosyloxy-9H-$b-carboline-1-carboxylic acid methyl ester methyl 4-methoxy-8-(4-methylphenyl)sulfonyloxy-9H-pyrido[3,4-b]indole-1-carboxylate methyl 4-methoxy-8-(p-tolylsulfonyloxy)-9H-pyrido[3,4-b]indole-1-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C21H18N2O6S
InChI InChI=1S/C21H18N2O6S/c1-12-7-9-13(10-8-12)30(25,26)29-15-6-4-5-14-17-16(27-2)11-22-20(21(24)28-3)19(17)23-18(14)15/h4-11,23H,1-3H3
InChIKey ZFRKSFFIKMQUNN-UHFFFAOYSA-N
Molecular Weight 426.443 g/mol
SMILES [nH]1c2c(c3c(cnc(c13)C(=O)OC)OC)cccc2OS(c1ccc(cc1)C)(=O)=O
SPLASH splash10-00di-0090300000-149bc953a20a7129f949
Source of Spectrum KC-0-1721-19
Wiley ID 828476