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

View entire compound with spectra: 2 NMR

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 EoVF6YHQryr
Name 3-(3-NITROBENZYL)-1-THIOFLAVONE-1,1-DIOXIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author Z.SZABO,A.LEVAI
Literature Reference Citation MAGN.RES.CHEM.,31,418(1993)
Literature Reference DOI 10.1002/mrc.1260310422
Molecular Weight 405.425 g/mol
Solvent CDCl3
Source File Reference UWMR513