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THIOCHROMAN-3-ON
SpectraBase Compound ID KExOS5Fu4oA
InChI InChI=1S/C9H8OS/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-4H,5-6H2
InChIKey KLYMTKVJYHTFIA-UHFFFAOYSA-N
Mol Weight 164.22 g/mol
Molecular Formula C9H8OS
Exact Mass 164.029586 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3PQV2VzEfGF
Name Thiochroman-3-one
CAS Registry Number 16895-58-2
Comments APPROXIMATE VALUES BETWEEN 127.0 AND 129.0 PPM ARBITRARILY ASSIGNED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H8OS
InChI InChI=1S/C9H8OS/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-4H,5-6H2
InChIKey KLYMTKVJYHTFIA-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