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1-AMINO-9-METHYL-PURINIUM-MESITYLENE-SULFONATE

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1-AMINO-9-METHYL-PURINIUM-MESITYLENE-SULFONATE
SpectraBase Compound ID IruSNSqYjl9
InChI InChI=1S/C9H12O3S.C6H8N5/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-10-3-8-5-2-11(7)4-9-6(5)10/h4-5H,1-3H3,(H,10,11,12);2-4H,7H2,1H3/q;+1/p-1
InChIKey HRQAFXFWCWNHNM-UHFFFAOYSA-M
Mol Weight 349.41 g/mol
Molecular Formula C15H19N5O3S
Exact Mass 349.120861 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IiXkK17E34q
Name 1-AMINO-9-METHYL-PURINIUM-MESITYLENE-SULFONATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H19N5O3S
InChI InChI=1S/C9H12O3S.C6H8N5/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-10-3-8-5-2-11(7)4-9-6(5)10/h4-5H,1-3H3,(H,10,11,12);2-4H,7H2,1H3/q;+1/p-1
InChIKey HRQAFXFWCWNHNM-UHFFFAOYSA-M
Literature Reference Author N.J.KOS,H.JONGEJAN,H.C.VANDERPLAS,A.VANVELDHUIZEN
Literature Reference Citation REC.TR.CH.P.-B.,104,302(1985)
Literature Reference DOI 10.1002/recl.19851041107
Molecular Weight 349.408 g/mol
Solvent DMSO-D6
Source File Reference UWED4328