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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 Ae6CpOUJrgG
Name ISOTHIOCHROMAN-4-ONE, 2,2-DIOXIDE
Source of Sample M. S. Chauhan, I. W. Still Can. J. Chem. 53, 2880(1975)
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. 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
Molecular Weight 196.23
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Varian XL-100