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1,3-Diphenyl-5-tetrazolio(tosyl)amide

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

1,3-Diphenyl-5-tetrazolio(tosyl)amide
SpectraBase Compound ID 2pwhJ0Hu5V0
InChI InChI=1S/C20H17N5O2S/c1-16-12-14-19(15-13-16)28(26,27)22-20-21-25(18-10-6-3-7-11-18)23-24(20)17-8-4-2-5-9-17/h2-15H,1H3
InChIKey FWVKLIOFGKRNKR-UHFFFAOYSA-N
Mol Weight 391.45 g/mol
Molecular Formula C20H17N5O2S
Exact Mass 391.110296 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I5F4VOUh72Z
Name 1,3-Diphenyl-5-tetrazolio(tosyl)amide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 391.110295979 u
Formula C20H17N5O2S
InChI InChI=1S/C20H17N5O2S/c1-16-12-14-19(15-13-16)28(26,27)22-20-21-25(18-10-6-3-7-11-18)23-24(20)17-8-4-2-5-9-17/h2-15H,1H3
InChIKey FWVKLIOFGKRNKR-UHFFFAOYSA-N
Molecular Weight 391.449 g/mol
SMILES C=1([N+](=NN(N1)C=1C=CC=CC1)C1=CC=CC=C1)[N-]S(C=1C=CC(=CC1)C)(=O)=O