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Thiochromanone 1,1-dioxide

View entire compound with spectra: 6 NMR, and 1 MS (GC)

Thiochromanone 1,1-dioxide
SpectraBase Compound ID 9e6cAgz8EgJ
InChI InChI=1S/C9H8O3S/c10-8-5-6-13(11,12)9-4-2-1-3-7(8)9/h1-4H,5-6H2
InChIKey NNJAUTBXMFSABH-UHFFFAOYSA-N
Mol Weight 196.22 g/mol
Molecular Formula C9H8O3S
Exact Mass 196.019415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C5G9oefl7T9
Name Thiochromanone 1,1-dioxide
CAS Registry Number 19446-96-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H8O3S
InChI InChI=1S/C9H8O3S/c10-8-5-6-13(11,12)9-4-2-1-3-7(8)9/h1-4H,5-6H2
InChIKey NNJAUTBXMFSABH-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference M.S. Chauhan, I.W. Still, Can. J. Chem. 53, 2880 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3