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7-Hydroxy-2,3,6-trimethylindolo[1,2-a]-quinoxalin-5-ium p-toluenesulphonate
SpectraBase Compound ID A1xiSJuhI5X
InChI InChI=1S/C18H16N2O.C7H8O3S/c1-10-8-14-16(9-11(10)2)20-15-7-5-4-6-13(15)18(21)17(20)12(3)19-14;1-6-2-4-7(5-3-6)11(8,9)10/h4-9,21H,1-3H3;2-5H,1H3,(H,8,9,10)
InChIKey MLFUNFAVOOFOEO-UHFFFAOYSA-N
Mol Weight 448.54 g/mol
Molecular Formula C25H24N2O4S
Exact Mass 448.145678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KEMVZlFALgk
Name 7-Hydroxy-2,3,6-trimethylindolo[1,2-a]-quinoxalin-5-ium p-toluenesulphonate
Alternate Name(s) 7-Hydroxy-2,3,6-trimethylindolo[1,2-a]quinoxalin-5-ium 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H24N2O4S
InChI InChI=1S/C18H16N2O.C7H8O3S/c1-10-8-14-16(9-11(10)2)20-15-7-5-4-6-13(15)18(21)17(20)12(3)19-14;1-6-2-4-7(5-3-6)11(8,9)10/h4-9,21H,1-3H3;2-5H,1H3,(H,8,9,10)
InChIKey MLFUNFAVOOFOEO-UHFFFAOYSA-N
Molecular Weight 448.537 g/mol
SMILES c1(S([O-])(=O)=O)ccc(cc1)C.[NH+]=1c2cc(c(cc2-[n]2c(c(c3ccccc23)O)C1C)C)C
SPLASH splash10-004i-5190000000-b3c6c86f405dfba3e2fa
Source of Spectrum F-46-6497-27
Wiley ID 1387168