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

*Links on SpectraBase are not permalinks.

5-((4-(2,6-Dioxo-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-8-yl)oxy)-3-methoxyphenyl)-1-formyl-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole

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

5-((4-(2,6-Dioxo-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-8-yl)oxy)-3-methoxyphenyl)-1-formyl-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID 98akEXdmZRw
InChI InChI=1S/C26H26N6O5/c1-15-6-8-16(9-7-15)18-13-19(32(14-33)28-18)17-10-11-20(21(12-17)36-5)37-25-27-23-22(29(25)2)24(34)31(4)26(35)30(23)3/h6-12,14,19H,13H2,1-5H3
InChIKey NTJOXJAATBBANJ-UHFFFAOYSA-N
Mol Weight 502.53 g/mol
Molecular Formula C26H26N6O5
Exact Mass 502.196468 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 KfrbAr1gykI
Name 5-((4-(2,6-Dioxo-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-8-yl)oxy)-3-methoxyphenyl)-1-formyl-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 502.196467956 u
Formula C26H26N6O5
InChI InChI=1S/C26H26N6O5/c1-15-6-8-16(9-7-15)18-13-19(32(14-33)28-18)17-10-11-20(21(12-17)36-5)37-25-27-23-22(29(25)2)24(34)31(4)26(35)30(23)3/h6-12,14,19H,13H2,1-5H3
InChIKey NTJOXJAATBBANJ-UHFFFAOYSA-N
Molecular Weight 502.531 g/mol
SMILES CN1C(=O)N(C)C2=C(N(C(OC=3C=CC(=CC3OC)C3CC(=NN3C=O)C3=CC=C(C=C3)C)=N2)C)C1=O