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3,7-DIMETHYLISOGUANINE
SpectraBase Compound ID 4DMpfSfvLXc
InChI InChI=1S/C7H9N5O/c1-11-3-9-6-4(11)5(8)10-7(13)12(6)2/h3H,1-2H3,(H2,8,10,13)
InChIKey JZQHSYUUSIOKEV-UHFFFAOYSA-N
Mol Weight 179.18 g/mol
Molecular Formula C7H9N5O
Exact Mass 179.08071 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2MbuEKDz8xl
Name 3,7-DIMETHYLISOGUANINE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H9N5O
InChI InChI=1S/C7H9N5O/c1-11-3-9-6-4(11)5(8)10-7(13)12(6)2/h3H,1-2H3,(H2,8,10,13)
InChIKey JZQHSYUUSIOKEV-UHFFFAOYSA-N
Literature Reference Author N.PENEZ,G.CULIOLI,T.PEREZ,J.F.BRIAND,O.P.THOMAS,Y.BLACHE
Literature Reference Citation J.NAT.PROD.,74,2304(2011)
Literature Reference DOI 10.1021/np200537v
Molecular Weight 179.181 g/mol
Sample ID 39503
Solvent DMSO-D6