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1-methyl-2-(3-methyl-6-thioxo-9H-purin-8(3H)-yl)pyridinium hydroxide, inner salt
SpectraBase Compound ID 99eX5PXkiiP
InChI InChI=1S/C12H11N5S/c1-16-6-4-3-5-8(16)10-14-9-11(15-10)17(2)7-13-12(9)18/h3-7H,1-2H3
InChIKey AWYNSLTZWMABRT-UHFFFAOYSA-N
Mol Weight 257.31 g/mol
Molecular Formula C12H11N5S
Exact Mass 257.073517 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID D8kIGFtB5CG
Name 1-METHYL-2-(3-METHYL-6-THIOXO-9H-PURIN-8(3H)-YL)PYRIDINIUM HYDROXIDE, INNER SALT
Source of Sample F. Bergmann, the Hebrew University of Jerusalem, Jerusalem, Israel
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N5S
InChI InChI=1S/C12H11N5S/c1-16-6-4-3-5-8(16)10-14-9-11(15-10)17(2)7-13-12(9)18/h3-7H,1-2H3
InChIKey AWYNSLTZWMABRT-UHFFFAOYSA-N
Literature Reference JCSO (C), 1831(1969)
Molecular Weight 257.315002
Synonyms PYRIDINIUM HYDROXIDE, 1-METHYL-2- /3-METHYL-6-THIOXO-9H-PURIN-8/3H/-YL/- INNER SALT
Technique KBr WAFER