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5-Mercapto-3-phenyl-1,3,4-thiadiazol-2(3H)-one
SpectraBase Compound ID KVIKFl3Awcn
InChI InChI=1S/C8H6N2OS2/c11-8-10(9-7(12)13-8)6-4-2-1-3-5-6/h1-5H,(H,9,12)
InChIKey GZGKWUPIBDUMBJ-UHFFFAOYSA-N
Mol Weight 210.27 g/mol
Molecular Formula C8H6N2OS2
Exact Mass 209.992155 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J749ooV9PmN
Name 5-Mercapto-3-phenyl-1,3,4-thiadiazol-2(3H)-one
CAS Registry Number 38699-24-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H6N2OS2
InChI InChI=1S/C8H6N2OS2/c11-8-10(9-7(12)13-8)6-4-2-1-3-5-6/h1-5H,(H,9,12)
InChIKey GZGKWUPIBDUMBJ-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference U. Anthoni, B. Mynster Dahl, H. Eggert, Acta Chem. Scand. B30, 71 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3