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5,5-Diphenyl-3-[(2''-tetrazol-5''-yl)biphenyl-4'-yl]-methylhydantoin

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

5,5-Diphenyl-3-[(2''-tetrazol-5''-yl)biphenyl-4'-yl]-methylhydantoin
SpectraBase Compound ID EB8qkWMAd7b
InChI InChI=1S/C29H22N6O2/c36-27-29(22-12-6-2-7-13-22,23-14-8-3-9-15-23)30-28(37)35(27)19-20-16-17-24(21-10-4-1-5-11-21)25(18-20)26-31-33-34-32-26/h1-18H,19H2,(H,30,37)(H,31,32,33,34)
InChIKey ZGIWLVACMOFFCU-UHFFFAOYSA-N
Mol Weight 486.54 g/mol
Molecular Formula C29H22N6O2
Exact Mass 486.180424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A50S95TJ4TI
Name 5,5-Diphenyl-3-[(2''-tetrazol-5''-yl)biphenyl-4'-yl]-methylhydantoin
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 486.180423970 u
Formula C29H22N6O2
InChI InChI=1S/C29H22N6O2/c36-27-29(22-12-6-2-7-13-22,23-14-8-3-9-15-23)30-28(37)35(27)19-20-16-17-24(21-10-4-1-5-11-21)25(18-20)26-31-33-34-32-26/h1-18H,19H2,(H,30,37)(H,31,32,33,34)
InChIKey ZGIWLVACMOFFCU-UHFFFAOYSA-N
Molecular Weight 486.535 g/mol
SMILES C1(N(C(NC1(C1=CC=CC=C1)C=1C=CC=CC1)=O)CC=1C=C(C2=NN=NN2)C(=CC1)C1=CC=CC=C1)=O