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1-THIOFLAVANONE-1,1-DIOXIDE
SpectraBase Compound ID 500VRpqzIHR
InChI InChI=1S/C15H12O3S/c16-13-10-15(11-6-2-1-3-7-11)19(17,18)14-9-5-4-8-12(13)14/h1-9,15H,10H2
InChIKey NJSMBEUZSLKMHB-UHFFFAOYSA-N
Mol Weight 272.32 g/mol
Molecular Formula C15H12O3S
Exact Mass 272.050715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HQweiO5JDeu
Name 2-Phenyl-thiochromanone 1,1-dioxide
CAS Registry Number 58109-94-7
Comments APPROXIMATE VALUES BETWEEN 124.4 AND 135.0 PPM ARBITRARILY ASSIGNED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H12O3S
InChI InChI=1S/C15H12O3S/c16-13-10-15(11-6-2-1-3-7-11)19(17,18)14-9-5-4-8-12(13)14/h1-9,15H,10H2
InChIKey NJSMBEUZSLKMHB-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