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5,5-Thiocarbonyl-dithio-bis(3-phenyl-1,3,4-thiadiazol-2(3H)-one)
SpectraBase Compound ID A7HRezi0oQd
InChI InChI=1S/C17H10N4O2S5/c22-15-20(11-7-3-1-4-8-11)18-13(25-15)27-17(24)28-14-19-21(16(23)26-14)12-9-5-2-6-10-12/h1-10H
InChIKey QPNKJFWIFWXZJO-UHFFFAOYSA-N
Mol Weight 462.6 g/mol
Molecular Formula C17H10N4O2S5
Exact Mass 461.940731 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LFpuYZILjkJ
Name 5,5-Thiocarbonyl-dithio-bis(3-phenyl-1,3,4-thiadiazol-2(3H)-one)
CAS Registry Number 62549-93-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H10N4O2S5
InChI InChI=1S/C17H10N4O2S5/c22-15-20(11-7-3-1-4-8-11)18-13(25-15)27-17(24)28-14-19-21(16(23)26-14)12-9-5-2-6-10-12/h1-10H
InChIKey QPNKJFWIFWXZJO-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