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1,6-DIAMINO-9-(2',3'-O-ISOPROPYLIDENE-BETA-D-RIBOFURANOSYL)-PURINIUM-MESITYLENE-SULFONATE
SpectraBase Compound ID FpKYuHFu1Vy
InChI InChI=1S/C13H18N6O4.C9H12O3S/c1-13(2)22-8-6(3-20)21-12(9(8)23-13)18-4-16-7-10(14)19(15)5-17-11(7)18;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-6,8-9,12,14,20H,3,15H2,1-2H3;4-5H,1-3H3,(H,10,11,12)
InChIKey BYAZAHQILKAXRE-UHFFFAOYSA-N
Mol Weight 522.58 g/mol
Molecular Formula C22H30N6O7S
Exact Mass 522.189668 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IMaIsHRaf28
Name 1,6-DIAMINO-9-(2',3'-O-ISOPROPYLIDENE-BETA-D-RIBOFURANOSYL)-PURINIUM-MESITYLENE-SULFONATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30N6O7S
InChI InChI=1S/C13H18N6O4.C9H12O3S/c1-13(2)22-8-6(3-20)21-12(9(8)23-13)18-4-16-7-10(14)19(15)5-17-11(7)18;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-6,8-9,12,14,20H,3,15H2,1-2H3;4-5H,1-3H3,(H,10,11,12)
InChIKey BYAZAHQILKAXRE-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 522.576 g/mol
Solvent DMSO-D6
Source File Reference UWED4335