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3,5-Diphenyl-6-methyl-3,5-dihydro-1,2,3-triazolo[4,5-d]-1,2,4-triazolo[1,5-a]pyrimidin-9-one

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3,5-Diphenyl-6-methyl-3,5-dihydro-1,2,3-triazolo[4,5-d]-1,2,4-triazolo[1,5-a]pyrimidin-9-one
SpectraBase Compound ID 5Rd9k2vhwJ2
InChI InChI=1S/C18H13N7O/c1-12-21-25-17(26)15-16(24(22-20-15)14-10-6-3-7-11-14)19-18(25)23(12)13-8-4-2-5-9-13/h2-11H,1H3
InChIKey SAWBHHMWYDCXMU-UHFFFAOYSA-N
Mol Weight 343.35 g/mol
Molecular Formula C18H13N7O
Exact Mass 343.118158 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9oGC9FNcOc6
Name 3,5-Diphenyl-6-methyl-3,5-dihydro-1,2,3-triazolo[4,5-D]-1,2,4-triazolo[1,5-A]pyrimidin-9-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 343.118158066 u
Formula C18H13N7O
InChI InChI=1S/C18H13N7O/c1-12-21-25-17(26)15-16(24(22-20-15)14-10-6-3-7-11-14)19-18(25)23(12)13-8-4-2-5-9-13/h2-11H,1H3
InChIKey SAWBHHMWYDCXMU-UHFFFAOYSA-N
Molecular Weight 343.350 g/mol
SMILES C1=2N(C(C3=C(N2)N(N=N3)C=2C=CC=CC2)=O)N=C(N1C1=CC=CC=C1)C