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isothiochroman-4-one, 2,2-dioxide

View entire compound with spectra: 4 NMR, and 2 MS (GC)

isothiochroman-4-one, 2,2-dioxide
SpectraBase Compound ID Eb3zGtR3JyM
InChI InChI=1S/C9H8O3S/c10-9-6-13(11,12)5-7-3-1-2-4-8(7)9/h1-4H,5-6H2
InChIKey WZCXMBLDKALJTK-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 JwuYIDVk8jX
Name Isothiochromanone 2,2-dioxide
CAS Registry Number 16723-58-3
Comments APPROXIMATE VALUES BETWEEN 129.9 AND 130.6 PPM ARBITRARILY ASSIGNED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H8O3S
InChI InChI=1S/C9H8O3S/c10-9-6-13(11,12)5-7-3-1-2-4-8(7)9/h1-4H,5-6H2
InChIKey WZCXMBLDKALJTK-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