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1,2-DIAMINO-PURINIUM-MESITYLENE-SULFONATE

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1,2-DIAMINO-PURINIUM-MESITYLENE-SULFONATE
SpectraBase Compound ID Kbny1CZCwU8
InChI InChI=1S/C9H12O3S.C5H6N6/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;6-5-10-4-3(1-11(5)7)8-2-9-4/h4-5H,1-3H3,(H,10,11,12);1-2H,7H2,(H2,6,8,9,10)
InChIKey TWJPXDYBYFANFG-UHFFFAOYSA-N
Mol Weight 350.4 g/mol
Molecular Formula C14H18N6O3S
Exact Mass 350.11611 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FHUwpyQ4qj8
Name 1,2-DIAMINO-PURINIUM-MESITYLENE-SULFONATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H18N6O3S
InChI InChI=1S/C9H12O3S.C5H6N6/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;6-5-10-4-3(1-11(5)7)8-2-9-4/h4-5H,1-3H3,(H,10,11,12);1-2H,7H2,(H2,6,8,9,10)
InChIKey TWJPXDYBYFANFG-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 350.395 g/mol
Solvent DMSO-D6
Source File Reference UWED4334