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

*Links on SpectraBase are not permalinks.

1,2,3,6-Tetrahydropurin-2,6-dione, 1,3-dimethyl-8-[2-

View entire compound with spectra: 1 NMR

1,2,3,6-Tetrahydropurin-2,6-dione, 1,3-dimethyl-8-[2-
SpectraBase Compound ID 6QrrReqrL1k
InChI InChI=1S/C18H20N4O5/c1-21-16-14(17(23)22(2)18(21)24)19-13(20-16)7-6-10-8-11(25-3)15(27-5)12(9-10)26-4/h6-9H,1-5H3,(H,19,20)/b7-6+
InChIKey BPIQNFNKBYWCNB-VOTSOKGWSA-N
Mol Weight 372.38 g/mol
Molecular Formula C18H20N4O5
Exact Mass 372.14337 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 K8JzjiWSufI
Name 1,2,3,6-Tetrahydropurin-2,6-dione, 1,3-dimethyl-8-[2-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.143369755 u
Formula C18H20N4O5
InChI InChI=1S/C18H20N4O5/c1-21-16-14(17(23)22(2)18(21)24)19-13(20-16)7-6-10-8-11(25-3)15(27-5)12(9-10)26-4/h6-9H,1-5H3,(H,19,20)/b7-6+
InChIKey BPIQNFNKBYWCNB-VOTSOKGWSA-N
Molecular Weight 372.381 g/mol
SMILES C1(N(C(C2=C(N1C)N=C(N2)\C=C\C1=CC(=C(C(=C1)OC)OC)OC)=O)C)=O