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

*Links on SpectraBase are not permalinks.

3-(3--3-methyl-triazeno)-pyridinium cation

View entire compound with spectra: 1 NMR

3-(3-<S-(N-Acetyl-cysteinyl)-methyl>-3-methyl-triazeno)-pyridinium cation
SpectraBase Compound ID AvnHa2uQ0D1
InChI InChI=1S/C12H17N5O3S/c1-9(18)14-11(12(19)20)7-21-8-17(2)16-15-10-4-3-5-13-6-10/h3-6,11H,7-8H2,1-2H3,(H,14,18)(H,19,20)/p+1/b16-15+
InChIKey FZDRVMXZIVKOGT-FOCLMDBBSA-O
Mol Weight 312.37 g/mol
Molecular Formula C12H18N5O3S
Exact Mass 312.113036 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 CIL7lv8Nnv4
Name 3-(3--3-methyl-triazeno)-pyridinium cation
Comments TRIFLUOROACETATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H18N5O3S
InChI InChI=1S/C12H17N5O3S/c1-9(18)14-11(12(19)20)7-21-8-17(2)16-15-10-4-3-5-13-6-10/h3-6,11H,7-8H2,1-2H3,(H,14,18)(H,19,20)/p+1/b16-15+
InChIKey FZDRVMXZIVKOGT-FOCLMDBBSA-O
Instrument Name Jeol FX-90
Literature Reference J. Iley, R. Moreira, E. Rosa, J. Chem. Soc. Perkin I 3241 (1991).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O