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5-phenyl-3H-1,2-dithiol-3-ol

View entire compound with spectra: 3 NMR, 1 FTIR, and 3 MS (GC)

5-phenyl-3H-1,2-dithiol-3-ol
SpectraBase Compound ID GSXxom8ygbc
InChI InChI=1S/C9H6OS2/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H
InChIKey ZCDDSVYFACNQAM-UHFFFAOYSA-N
Mol Weight 194.27 g/mol
Molecular Formula C9H6OS2
Exact Mass 193.986007 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F9GVAU9c8Jd
Name 3-Oxo-5-phenyl-3H-1,2-dithiole
CAS Registry Number 827-42-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H6OS2
InChI InChI=1S/C9H6OS2/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H
InChIKey ZCDDSVYFACNQAM-UHFFFAOYSA-N
Instrument Name Jeol FX-60
Literature Reference E.G. Frandsen, J.P. Jacobsen, Org. Magn. Resonance 10, 43 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6