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3-BENZOYLTHIO-5-[N-BENZOYL-N-(ORTHO-CYANOBENZYL)-AMINO]-1,2,4-THIADIAZOLE
SpectraBase Compound ID 5J2dtRDsQp5
InChI InChI=1S/C24H16N4O2S2/c25-15-19-13-7-8-14-20(19)16-28(21(29)17-9-3-1-4-10-17)24-26-23(27-32-24)31-22(30)18-11-5-2-6-12-18/h1-14H,16H2
InChIKey YJELNUNTACLSDX-UHFFFAOYSA-N
Mol Weight 456.54 g/mol
Molecular Formula C24H16N4O2S2
Exact Mass 456.071468 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KrIsLUw159d
Name 3-BENZOYLTHIO-5-[N-BENZOYL-N-(ORTHO-CYANOBENZYL)-AMINO]-1,2,4-THIADIAZOLE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H16N4O2S2
InChI InChI=1S/C24H16N4O2S2/c25-15-19-13-7-8-14-20(19)16-28(21(29)17-9-3-1-4-10-17)24-26-23(27-32-24)31-22(30)18-11-5-2-6-12-18/h1-14H,16H2
InChIKey YJELNUNTACLSDX-UHFFFAOYSA-N
Literature Reference Author G.L'ABBE,I.SANNEN,W.DEHAEN
Literature Reference Citation J.CHEM.SOC.PERKIN-1,27(1993)
Literature Reference DOI 10.1039/p19930000027
Molecular Weight 456.537 g/mol
Solvent CDCl3
Source File Reference UWCS18628