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5H-5-Cyano-5-hydroxyindeno[1,2-b]pyridinium toluene-4-sulfonate
SpectraBase Compound ID ABsc6kozb3w
InChI InChI=1S/C13H8N2O.C7H8O3S/c14-8-13(16)10-5-2-1-4-9(10)12-11(13)6-3-7-15-12;1-6-2-4-7(5-3-6)11(8,9)10/h1-7,16H;2-5H,1H3,(H,8,9,10)
InChIKey JPOJZXZKLRNDFG-UHFFFAOYSA-N
Mol Weight 380.42 g/mol
Molecular Formula C20H16N2O4S
Exact Mass 380.083078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5dWOYlWqe2c
Name 5H-5-Cyano-5-hydroxyindeno[1,2-b]pyridinium toluene-4-sulfonate
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Formula C20H16N2O4S
InChI InChI=1S/C13H8N2O.C7H8O3S/c14-8-13(16)10-5-2-1-4-9(10)12-11(13)6-3-7-15-12;1-6-2-4-7(5-3-6)11(8,9)10/h1-7,16H;2-5H,1H3,(H,8,9,10)
InChIKey JPOJZXZKLRNDFG-UHFFFAOYSA-N
Molecular Weight 380.418 g/mol
SMILES [nH+]1cccc2C(c3c(-c12)cccc3)(C#N)O.c1(S([O-])(=O)=O)ccc(C)cc1
SPLASH splash10-059x-2920000000-192bbea7f4db817bd56b
Source of Spectrum Y-32-1053-4
Synonyms 5-cyano-5-hydroxy-5H-indeno[1,2-b]pyridinium 4-methylbenzenesulfonate
Wiley ID 1359629