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BENZOTHIOPYRAN-4-THIONE

View entire compound with spectra: 4 NMR

BENZOTHIOPYRAN-4-THIONE
SpectraBase Compound ID IPaOUZmNUe6
InChI InChI=1S/C9H6S2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H
InChIKey VNVVBAGXYISKKX-UHFFFAOYSA-N
Mol Weight 178.27 g/mol
Molecular Formula C9H6S2
Exact Mass 177.991093 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID gePEzXzd86
Name 4H-Thiochromene-4-thione
CAS Registry Number 1125-64-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H6S2
InChI InChI=1S/C9H6S2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H
InChIKey VNVVBAGXYISKKX-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference I.W. Still, N. Plavac, D.M. McKinnon, Can. J. Chem. 54, 280 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3