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3,3-DIMETHYL-ISOTHIOCHROMAN-4-ON-2,2-DIOXID
SpectraBase Compound ID 3ZcxtC03CHW
InChI InChI=1S/C11H12O3S/c1-11(2)10(12)9-6-4-3-5-8(9)7-15(11,13)14/h3-6H,7H2,1-2H3
InChIKey DWMNAKGZFFTUTR-UHFFFAOYSA-N
Mol Weight 224.27 g/mol
Molecular Formula C11H12O3S
Exact Mass 224.050715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 71cLDflpzI5
Name 3,3-Dimethyl-isothiochromanone 2,2-dioxide
CAS Registry Number 58109-95-8
Comments APPROXIMATE VALUES BETWEEN 129.2 AND 130.4 PPM ARBITRARILY ASSIGNED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H12O3S
InChI InChI=1S/C11H12O3S/c1-11(2)10(12)9-6-4-3-5-8(9)7-15(11,13)14/h3-6H,7H2,1-2H3
InChIKey DWMNAKGZFFTUTR-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