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2-(1-Benzyl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl(phenyl)methanone

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2-(1-Benzyl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl(phenyl)methanone
SpectraBase Compound ID LWV3D9C0mUp
InChI InChI=1S/C27H20N4O/c32-26(22-11-5-2-6-12-22)23-17-15-21(16-18-23)24-13-7-8-14-25(24)27-28-29-30-31(27)19-20-9-3-1-4-10-20/h1-18H,19H2
InChIKey OTPLVPITARHDED-UHFFFAOYSA-N
Mol Weight 416.48 g/mol
Molecular Formula C27H20N4O
Exact Mass 416.163711 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LJCbvPrFSwX
Name 2-(1-Benzyl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl(phenyl)methanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.163711279 u
Formula C27H20N4O
InChI InChI=1S/C27H20N4O/c32-26(22-11-5-2-6-12-22)23-17-15-21(16-18-23)24-13-7-8-14-25(24)27-28-29-30-31(27)19-20-9-3-1-4-10-20/h1-18H,19H2
InChIKey OTPLVPITARHDED-UHFFFAOYSA-N
Molecular Weight 416.484 g/mol
SMILES C=1(N(N=NN1)CC=1C=CC=CC1)C1=C(C2=CC=C(C(=O)C3=CC=CC=C3)C=C2)C=CC=C1