For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Purin-2,6-dione, 1,3,7-trimethyl-8-[2-[3-aminophenyl]ethenyl]-

View entire compound with spectra: 1 NMR

Purin-2,6-dione, 1,3,7-trimethyl-8-[2-[3-aminophenyl]ethenyl]-
SpectraBase Compound ID AVaaBnm5NuV
InChI InChI=1S/C16H17N5O2/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/h4-9H,17H2,1-3H3/b8-7+
InChIKey ZEWLAZAHXZVMMY-BQYQJAHWSA-N
Mol Weight 311.35 g/mol
Molecular Formula C16H17N5O2
Exact Mass 311.138225 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5nHg0W0swc0
Name Purin-2,6-dione, 1,3,7-trimethyl-8-[2-[3-aminophenyl]ethenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.138224805 u
Formula C16H17N5O2
InChI InChI=1S/C16H17N5O2/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/h4-9H,17H2,1-3H3/b8-7+
InChIKey ZEWLAZAHXZVMMY-BQYQJAHWSA-N
Molecular Weight 311.345 g/mol
SMILES C1(N(C(C2=C(N1C)N=C(N2C)\C=C\C1=CC=CC(=C1)N)=O)C)=O