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Purin-2,6-dione, 1,3,7-trimethyl-8-[2-(3-aminophen)ethyl]-

View entire compound with spectra: 1 NMR

Purin-2,6-dione, 1,3,7-trimethyl-8-[2-(3-aminophen)ethyl]-
SpectraBase Compound ID LvhADU9iVte
InChI InChI=1S/C16H19N5O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-6,9H,7-8,17H2,1-3H3
InChIKey ZSCHVQBRWVLGFF-UHFFFAOYSA-N
Mol Weight 313.36 g/mol
Molecular Formula C16H19N5O2
Exact Mass 313.153875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LLue1727GuV
Name Purin-2,6-dione, 1,3,7-trimethyl-8-[2-(3-aminophen)ethyl]-
Comments Computed using HOSE algorithm
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Exact Mass 313.153874870 u
Formula C16H19N5O2
InChI InChI=1S/C16H19N5O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-6,9H,7-8,17H2,1-3H3
InChIKey ZSCHVQBRWVLGFF-UHFFFAOYSA-N
Molecular Weight 313.361 g/mol
SMILES C1(N(C(C2=C(N1C)N=C(N2C)CCC1=CC=CC(=C1)N)=O)C)=O