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3,3-DIMETHYL-THIOCHROMAN-4-ON-1,1-DIOXID

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3,3-DIMETHYL-THIOCHROMAN-4-ON-1,1-DIOXID
SpectraBase Compound ID 78hdaHTHIbR
InChI InChI=1S/C11H12O3S/c1-11(2)7-15(13,14)9-6-4-3-5-8(9)10(11)12/h3-6H,7H2,1-2H3
InChIKey ZYONQECUZKCGKF-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 6NfxoIsf8M1
Name 3,3-Dimethyl-thiochromanone 1,1-dioxide
CAS Registry Number 58109-93-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H12O3S
InChI InChI=1S/C11H12O3S/c1-11(2)7-15(13,14)9-6-4-3-5-8(9)10(11)12/h3-6H,7H2,1-2H3
InChIKey ZYONQECUZKCGKF-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