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4'-[(3-butyl-5-oxo-5H-1,2,4-oxadiazol-4-yl)methyl]biphenyl-2-tetrazole

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

4'-[(3-butyl-5-oxo-5H-1,2,4-oxadiazol-4-yl)methyl]biphenyl-2-tetrazole
SpectraBase Compound ID KAxFVytfWli
InChI InChI=1S/C20H20N6O2/c1-2-3-8-18-23-28-20(27)26(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)19-21-24-25-22-19/h4-7,9-12H,2-3,8,13H2,1H3,(H,21,22,24,25)
InChIKey FYTIJSILSFVHLZ-UHFFFAOYSA-N
Mol Weight 376.42 g/mol
Molecular Formula C20H20N6O2
Exact Mass 376.164774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LCVQAkOb0NZ
Name 4'-[(3-butyl-5-oxo-5H-1,2,4-oxadiazol-4-yl)methyl]biphenyl-2-tetrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.164773906 u
Formula C20H20N6O2
InChI InChI=1S/C20H20N6O2/c1-2-3-8-18-23-28-20(27)26(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)19-21-24-25-22-19/h4-7,9-12H,2-3,8,13H2,1H3,(H,21,22,24,25)
InChIKey FYTIJSILSFVHLZ-UHFFFAOYSA-N
Molecular Weight 376.420 g/mol
SMILES C1(N(C(=NO1)CCCC)CC1=CC=C(C=2C(C3=NN=NN3)=CC=CC2)C=C1)=O