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3,3-DIMETHYL-THIOCHROMAN-4-ON

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3,3-DIMETHYL-THIOCHROMAN-4-ON
SpectraBase Compound ID FK27r5eCOf
InChI InChI=1S/C11H12OS/c1-11(2)7-13-9-6-4-3-5-8(9)10(11)12/h3-6H,7H2,1-2H3
InChIKey XHPQROKSTPPIFJ-UHFFFAOYSA-N
Mol Weight 192.28 g/mol
Molecular Formula C11H12OS
Exact Mass 192.060886 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6gK5lalBuC3
Name 3,3-Dimethyl-thiochroman-4-one
CAS Registry Number 27943-36-8
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C11H12OS
InChI InChI=1S/C11H12OS/c1-11(2)7-13-9-6-4-3-5-8(9)10(11)12/h3-6H,7H2,1-2H3
InChIKey XHPQROKSTPPIFJ-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