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3-(4-CYANOBENZYL)-4-THIOFLAVONE

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3-(4-CYANOBENZYL)-4-THIOFLAVONE
SpectraBase Compound ID IIX7Gdd3tOU
InChI InChI=1S/C23H15NOS/c24-15-17-12-10-16(11-13-17)14-20-22(18-6-2-1-3-7-18)25-21-9-5-4-8-19(21)23(20)26/h1-13H,14H2
InChIKey LFUZMKKAMLGENR-UHFFFAOYSA-N
Mol Weight 353.44 g/mol
Molecular Formula C23H15NOS
Exact Mass 353.087435 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4uGsYA8Fm2q
Name alpha-(2-PHENYL-4-THIOXO-4H-1-BENZOPYRAN-3-YL)-p-TOLUNITRILE
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 C23H15NOS
InChI InChI=1S/C23H15NOS/c24-15-17-12-10-16(11-13-17)14-20-22(18-6-2-1-3-7-18)25-21-9-5-4-8-19(21)23(20)26/h1-13H,14H2
InChIKey LFUZMKKAMLGENR-UHFFFAOYSA-N
Molecular Weight 353.45
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian Gemini-200
Synonyms p-TOLUNITRILE, alpha-(2-PHENYL-4-THIOXO-4H-1-BENZOPYRAN-3-YL)-,