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(E)-4-ETHYL-3-OXO-5-[3,5-DI-(4-IODOPHENYL)-[1,3,4]-THIADIAZOL-2-YLIDENYL]-[1,2]-DITHIOLO-[3,4-B]-[1,4]-THIAZINE-6-THIONE
SpectraBase Compound ID 9PGymK69IaV
InChI InChI=1S/C21H13I2N3OS5/c1-2-25-15(20(28)30-21-16(25)19(27)31-32-21)18-26(14-9-7-13(23)8-10-14)24-17(29-18)11-3-5-12(22)6-4-11/h3-10H,2H2,1H3/b18-15+
InChIKey ZGIWSBMQSVMZSU-OBGWFSINSA-N
Mol Weight 737.5 g/mol
Molecular Formula C21H13I2N3OS5
Exact Mass 736.775158 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C4iAy91T2tV
Name (E)-4-ETHYL-3-OXO-5-[3,5-DI-(4-IODOPHENYL)-[1,3,4]-THIADIAZOL-2-YLIDENYL]-[1,2]-DITHIOLO-[3,4-B]-[1,4]-THIAZINE-6-THIONE
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H13I2N3OS5
InChI InChI=1S/C21H13I2N3OS5/c1-2-25-15(20(28)30-21-16(25)19(27)31-32-21)18-26(14-9-7-13(23)8-10-14)24-17(29-18)11-3-5-12(22)6-4-11/h3-10H,2H2,1H3/b18-15+
InChIKey ZGIWSBMQSVMZSU-OBGWFSINSA-N
Literature Reference Author S.BARRIGA,P.FUERTES,C.F.MARCOS,D.MIGUEL,O.A.RAKITIN,C.W.REES ,T.TORROBA
Literature Reference Citation J.ORG.CHEM.,66,5766(2001)
Literature Reference DOI 10.1021/jo010368u
Molecular Weight 737.463 g/mol
Solvent C5D5N
Source File Reference UWVN24088