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3-(3-NITROBENZYL)-1-THIOFLAVONE-1,1-DIOXIDE

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3-(3-NITROBENZYL)-1-THIOFLAVONE-1,1-DIOXIDE
SpectraBase Compound ID KHotORiBMeS
InChI InChI=1S/C22H15NO5S/c24-21-18-11-4-5-12-20(18)29(27,28)22(16-8-2-1-3-9-16)19(21)14-15-7-6-10-17(13-15)23(25)26/h1-13H,14H2
InChIKey PTHCAQLVUVUNNH-UHFFFAOYSA-N
Mol Weight 405.42 g/mol
Molecular Formula C22H15NO5S
Exact Mass 405.067094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E9SRaXKzfUu
Name 3-(m-NITROBENZYL)-1-THIOFLAVONE, 1,1-DIOXIDE
Source of Sample Z. Szabo, Alkaloida Chemical Company Ltd., Tiszavasvari, Hungary A. Levai, Kossuth Lajos University, Debrecen, Hungary Magn. Reson. Chem. 31, 418(1993)
Comments Intensities undefined
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H15NO5S
InChI InChI=1S/C22H15NO5S/c24-21-18-11-4-5-12-20(18)29(27,28)22(16-8-2-1-3-9-16)19(21)14-15-7-6-10-17(13-15)23(25)26/h1-13H,14H2
InChIKey PTHCAQLVUVUNNH-UHFFFAOYSA-N
Molecular Weight 405.43
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian Gemini-200
Synonyms 1-THIOFLAVONE, 3-(m-NITROBENZYL)-, 1,1-DIOXIDE