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6H-Purin-6-one, 1,7-dihydro-1,2,7-triphenyl-

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

6H-Purin-6-one, 1,7-dihydro-1,2,7-triphenyl-
SpectraBase Compound ID H9PV7kJCgn1
InChI InChI=1S/C23H16N4O/c28-23-20-21(24-16-26(20)18-12-6-2-7-13-18)25-22(17-10-4-1-5-11-17)27(23)19-14-8-3-9-15-19/h1-16H
InChIKey UFFWIFABJFAZNK-UHFFFAOYSA-N
Mol Weight 364.41 g/mol
Molecular Formula C23H16N4O
Exact Mass 364.132411 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BEv2FiLEcfU
Name 6H-Purin-6-one, 1,7-dihydro-1,2,7-triphenyl-
Comments Computed using HOSE algorithm
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Exact Mass 364.132411150 u
Formula C23H16N4O
InChI InChI=1S/C23H16N4O/c28-23-20-21(24-16-26(20)18-12-6-2-7-13-18)25-22(17-10-4-1-5-11-17)27(23)19-14-8-3-9-15-19/h1-16H
InChIKey UFFWIFABJFAZNK-UHFFFAOYSA-N
Molecular Weight 364.408 g/mol
SMILES C12=C(N=C(N(C2=O)C=2C=CC=CC2)C2=CC=CC=C2)N=CN1C=1C=CC=CC1