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1,5-Diphenyl-4-(p-methoxybenzoyl)-1,2,3-triazole

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

1,5-Diphenyl-4-(p-methoxybenzoyl)-1,2,3-triazole
SpectraBase Compound ID 8IPwRMAfD0Y
InChI InChI=1S/C22H17N3O2/c1-27-19-14-12-17(13-15-19)22(26)20-21(16-8-4-2-5-9-16)25(24-23-20)18-10-6-3-7-11-18/h2-15H,1H3
InChIKey OEFPUWDAVRFHFY-UHFFFAOYSA-N
Mol Weight 355.4 g/mol
Molecular Formula C22H17N3O2
Exact Mass 355.132077 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F6TsGb2Qjvl
Name 1,5-Diphenyl-4-(p-methoxybenzoyl)-1,2,3-triazole
Comments Computed using HOSE algorithm
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Exact Mass 355.132076797 u
Formula C22H17N3O2
InChI InChI=1S/C22H17N3O2/c1-27-19-14-12-17(13-15-19)22(26)20-21(16-8-4-2-5-9-16)25(24-23-20)18-10-6-3-7-11-18/h2-15H,1H3
InChIKey OEFPUWDAVRFHFY-UHFFFAOYSA-N
Molecular Weight 355.397 g/mol
SMILES C1(=C(N(C=2C=CC=CC2)N=N1)C1=CC=CC=C1)C(C1=CC=C(C=C1)OC)=O