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

*Links on SpectraBase are not permalinks.

1H-Purine-2,6-dione, 3,7-dihydro-7-(4-tert-butylbenzyl)-1,3-dimethyl-

View entire compound with spectra: 2 NMR, and 1 MS (GC)

1H-Purine-2,6-dione, 3,7-dihydro-7-(4-tert-butylbenzyl)-1,3-dimethyl-
SpectraBase Compound ID A3B3BJ2LDJt
InChI InChI=1S/C18H22N4O2/c1-18(2,3)13-8-6-12(7-9-13)10-22-11-19-15-14(22)16(23)21(5)17(24)20(15)4/h6-9,11H,10H2,1-5H3
InChIKey ZFZAIHKQJBMYLO-UHFFFAOYSA-N
Mol Weight 326.4 g/mol
Molecular Formula C18H22N4O2
Exact Mass 326.174276 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID ETmTIEArWaC
Name 1H-Purine-2,6-dione, 3,7-dihydro-7-(4-tert-butylbenzyl)-1,3-dimethyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.174275962 u
Formula C18H22N4O2
InChI InChI=1S/C18H22N4O2/c1-18(2,3)13-8-6-12(7-9-13)10-22-11-19-15-14(22)16(23)21(5)17(24)20(15)4/h6-9,11H,10H2,1-5H3
InChIKey ZFZAIHKQJBMYLO-UHFFFAOYSA-N
Molecular Weight 326.400 g/mol
SMILES C12=C(C(=O)N(C(N2C)=O)C)N(CC=2C=CC(C(C)(C)C)=CC2)C=N1