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1H-2-Benzothiopyran-4(3H)-one, 3-(1,1-dimethylethyl)-

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1H-2-Benzothiopyran-4(3H)-one, 3-(1,1-dimethylethyl)-
SpectraBase Compound ID 5dHQOf5Oe8v
InChI InChI=1S/C13H16OS/c1-13(2,3)12-11(14)10-7-5-4-6-9(10)8-15-12/h4-7,12H,8H2,1-3H3
InChIKey TYIDELLXCHZKOV-UHFFFAOYSA-N
Mol Weight 220.33 g/mol
Molecular Formula C13H16OS
Exact Mass 220.092186 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BQynOUR6kSO
Name 3-tert-Butyl-2-benzothiopyran-4-one
CAS Registry Number 72554-24-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H16OS
InChI InChI=1S/C13H16OS/c1-13(2,3)12-11(14)10-7-5-4-6-9(10)8-15-12/h4-7,12H,8H2,1-3H3
InChIKey TYIDELLXCHZKOV-UHFFFAOYSA-N
Literature Reference O.H. Johansen, K. Undheim, Acta Chem. Scand. B33, 460 (1979).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3