For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

4-amino-3,5-dimethyl-1-(2-oxo-2-phenylethyl)-4H-1,2,4-triazol-1-ium 4-[(E)-(4-hydroxy-1-naphthyl)diazenyl]benzenesulfonate

View entire compound with spectra: 2 NMR

4-amino-3,5-dimethyl-1-(2-oxo-2-phenylethyl)-4H-1,2,4-triazol-1-ium 4-[(E)-(4-hydroxy-1-naphthyl)diazenyl]benzenesulfonate
SpectraBase Compound ID FNinuTNNspp
InChI InChI=1S/C16H12N2O4S.C12H15N4O/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22;1-9-14-15(10(2)16(9)13)8-12(17)11-6-4-3-5-7-11/h1-10,19H,(H,20,21,22);3-7H,8,13H2,1-2H3/q;+1/p-1/b18-17+;
InChIKey ODILWIOLBXLJSL-ZAGWXBKKSA-M
Mol Weight 558.61 g/mol
Molecular Formula C28H26N6O5S
Exact Mass 558.168539 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID xLSeY3zX8b
Name 4-Amino-3,5-dimethyl-1-(2-oxo-2-phenylethyl)-4H-1,2,4-triazol-1-ium 4-[(E)-(4-hydroxy-1-naphthyl)diazenyl]benzenesulfonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 558.168539130 u
Formula C28H26N6O5S
InChI InChI=1S/C16H12N2O4S.C12H15N4O/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22;1-9-14-15(10(2)16(9)13)8-12(17)11-6-4-3-5-7-11/h1-10,19H,(H,20,21,22);3-7H,8,13H2,1-2H3/q;+1/p-1/b18-17+;
InChIKey ODILWIOLBXLJSL-ZAGWXBKKSA-M
SMILES OC1=CC=C(C2=C1C=CC=C2)\N=N\C=1C=CC(S([O-])(=O)=O)=CC1.NN1C(=[N+](N=C1C)CC(=O)C=1C=CC=CC1)C