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9H-purine-2,6-diamine, N~6~-[2-(3,4-dimethoxyphenyl)ethyl]-
SpectraBase Compound ID 70clDQnWD6c
InChI InChI=1S/C15H18N6O2/c1-22-10-4-3-9(7-11(10)23-2)5-6-17-13-12-14(19-8-18-12)21-15(16)20-13/h3-4,7-8H,5-6H2,1-2H3,(H4,16,17,18,19,20,21)
InChIKey HJTKPCKUPKRWOL-UHFFFAOYSA-N
Mol Weight 314.35 g/mol
Molecular Formula C15H18N6O2
Exact Mass 314.149124 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KaudIZV5LEq
Name 9H-Purine-2,6-diamine, N~6~-[2-(3,4-dimethoxyphenyl)ethyl]-
Comments Computed using HOSE algorithm
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Exact Mass 314.149123842 u
Formula C15H18N6O2
InChI InChI=1S/C15H18N6O2/c1-22-10-4-3-9(7-11(10)23-2)5-6-17-13-12-14(19-8-18-12)21-15(16)20-13/h3-4,7-8H,5-6H2,1-2H3,(H4,16,17,18,19,20,21)
InChIKey HJTKPCKUPKRWOL-UHFFFAOYSA-N
Molecular Weight 314.349 g/mol
SMILES N(C=1N=C(N=C2C1N=CN2)N)CCC1=CC(OC)=C(C=C1)OC