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1-THIOFLAVANONE-1-OXIDE
SpectraBase Compound ID Ae88L0ILOdl
InChI InChI=1S/C15H12O2S/c16-13-10-15(11-6-2-1-3-7-11)18(17)14-9-5-4-8-12(13)14/h1-9,15H,10H2
InChIKey YKUYXMXPFVSHDQ-UHFFFAOYSA-N
Mol Weight 256.32 g/mol
Molecular Formula C15H12O2S
Exact Mass 256.055801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2YrhNPhNZAM
Name Thioflavone 1-oxide
CAS Registry Number 58109-92-5
Comments DIASTEREOMERIC MIXTURE, LOW FIELD RESONANCES APPROXIMATE VALUES BETWEEN 127.1 AND 133.3 PPM ARBITRARILY ASSIGNED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H12O2S
InChI InChI=1S/C15H12O2S/c16-13-10-15(11-6-2-1-3-7-11)18(17)14-9-5-4-8-12(13)14/h1-9,15H,10H2
InChIKey YKUYXMXPFVSHDQ-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