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1H-Pyrazolo[3,4-D]pyrimidin-4-amine, 1-(1,1-dimethylethyl)-3-(1-naphthalenyl)-
SpectraBase Compound ID FykzxDb06TP
InChI InChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,20,21,22)
InChIKey XSHQBIXMLULFEV-UHFFFAOYSA-N
Mol Weight 317.4 g/mol
Molecular Formula C19H19N5
Exact Mass 317.164046 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Tk5CxsZeu8
Name 1H-Pyrazolo[3,4-D]pyrimidin-4-amine, 1-(1,1-dimethylethyl)-3-(1-naphthalenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.164045632 u
Formula C19H19N5
InChI InChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,20,21,22)
InChIKey XSHQBIXMLULFEV-UHFFFAOYSA-N
Molecular Weight 317.396 g/mol
SMILES C1=NC2=C(C(=N1)N)C(C1=CC=CC=3C1=CC=CC3)=NN2C(C)(C)C