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

*Links on SpectraBase are not permalinks.
6-Aza-2-thiothymine
SpectraBase Compound ID 68BWA5xNghX
InChI InChI=1S/C4H5N3OS/c1-2-3(8)5-4(9)7-6-2/h1H3,(H2,5,7,8,9)
InChIKey NKOPQOSBROLOFP-UHFFFAOYSA-N
Mol Weight 143.16 g/mol
Molecular Formula C4H5N3OS
Exact Mass 143.015333 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 KLvhvlfk7yC
Name 3-Thioxo-5-oxo-6-methyl-1,2,4-triazine
CAS Registry Number 615-76-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C4H5N3OS
InChI InChI=1S/C4H5N3OS/c1-2-3(8)5-4(9)7-6-2/h1H3,(H2,5,7,8,9)
InChIKey NKOPQOSBROLOFP-UHFFFAOYSA-N
Instrument Name Varian XL-300
Literature Reference B. Mester, R.M. Claramunt, J. Elguero, Magn. Res. Chem. 25, 737 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6