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2-Methylthio-pyrazolo(1,5-A)-S-triazin-4-one anion
SpectraBase Compound ID BkTimZaWlEZ
InChI InChI=1S/C6H6N4OS/c1-12-5-8-4-2-3-7-10(4)6(11)9-5/h2-3H,1H3,(H,7,8,9,11)/p-1
InChIKey FWZSPLNRRRCILS-UHFFFAOYSA-M
Mol Weight 181.19 g/mol
Molecular Formula C6H5N4OS
Exact Mass 181.018407 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2yQUd7U1nS9
Name 2-Methylthio-pyrazolo(1,5-A)-S-triazin-4-one anion
CAS Registry Number 52259-81-1
Comments LITHIUM SALT REASSIGNED (A.H.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H5N4OS
InChI InChI=1S/C6H6N4OS/c1-12-5-8-4-2-3-7-10(4)6(11)9-5/h2-3H,1H3,(H,7,8,9,11)/p-1
InChIKey FWZSPLNRRRCILS-UHFFFAOYSA-M
Instrument Name Bruker HX-90
Literature Reference P. Dea, G.R. Revankar, R.L. Tolman, J. Org. Chem. 39, 3226 (1974).
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6