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1-AMINO-8-PHENYL-PURINIUM-MESITYLENE-SULFONATE

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1-AMINO-8-PHENYL-PURINIUM-MESITYLENE-SULFONATE
SpectraBase Compound ID 3ekxRraUa8x
InChI InChI=1S/C11H9N5.C9H12O3S/c12-16-6-9-11(13-7-16)15-10(14-9)8-4-2-1-3-5-8;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h1-7H,12H2;4-5H,1-3H3,(H,10,11,12)
InChIKey LCCZNHVZQVOQQS-UHFFFAOYSA-N
Mol Weight 411.48 g/mol
Molecular Formula C20H21N5O3S
Exact Mass 411.136511 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5qxMZHWtGxF
Name 1-AMINO-8-PHENYL-PURINIUM-MESITYLENE-SULFONATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H21N5O3S
InChI InChI=1S/C11H9N5.C9H12O3S/c12-16-6-9-11(13-7-16)15-10(14-9)8-4-2-1-3-5-8;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h1-7H,12H2;4-5H,1-3H3,(H,10,11,12)
InChIKey LCCZNHVZQVOQQS-UHFFFAOYSA-N
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 411.478 g/mol
Solvent DMSO-D6
Source File Reference UWED4327