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

*Links on SpectraBase are not permalinks.

Isopterin cation

View entire compound with spectra: 1 NMR

Isopterin cation
SpectraBase Compound ID I9Gtn5sKAJV
InChI InChI=1S/C6H5N5O/c7-4-3-5(9-2-1-8-3)11-6(12)10-4/h1-2H,(H3,7,9,10,11,12)/p+1
InChIKey ZYLMCRLXTUAWGM-UHFFFAOYSA-O
Mol Weight 164.15 g/mol
Molecular Formula C6H6N5O
Exact Mass 164.057235 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 LBIN7Xn7b2I
Name Isopterin cation
Comments TRIFLUOROACETATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H6N5O
InChI InChI=1S/C6H5N5O/c7-4-3-5(9-2-1-8-3)11-6(12)10-4/h1-2H,(H3,7,9,10,11,12)/p+1
InChIKey ZYLMCRLXTUAWGM-UHFFFAOYSA-O
Instrument Name Bruker WH-400
Literature Reference S. Tobias, H. Guenther, W. Pfleiderer, Chem. Ber. 118, 354 (1985).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CF3COOH