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S-TRIAZOLO/4,3-D/-AS-TRIAZINE-5/6H/- THIONE

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S-TRIAZOLO/4,3-D/-AS-TRIAZINE-5/6H/- THIONE
SpectraBase Compound ID HRmLDWOZ4HA
InChI InChI=1S/C4H3N5S/c10-4-8-5-1-3-7-6-2-9(3)4/h1-2H,(H,8,10)
InChIKey LQWLEUOSBVOBKD-UHFFFAOYSA-N
Mol Weight 153.16 g/mol
Molecular Formula C4H3N5S
Exact Mass 153.010916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EIbWm8B3oCv
Name 6,7-Dihydro-6-thioxo-1,2,4-triazolo(4,3-D)1,2,4-triazine
CAS Registry Number 76399-27-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C4H3N5S
InChI InChI=1S/C4H3N5S/c10-4-8-5-1-3-7-6-2-9(3)4/h1-2H,(H,8,10)
InChIKey LQWLEUOSBVOBKD-UHFFFAOYSA-N
Instrument Name Jeol PS-100
Literature Reference J. Daunis, M. Follet, C. Marzin, Org. Magn. Resonance 13, 330 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6