For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(E)-4-ETHYL-3-OXO-5-[3,5-DI-(4-BROMOPHENYL)-[1,3,4]-THIADIAZOL-2-YLIDENYL]-[1,2]-DITHIOLO-[3,4-B]-[1,4]-THIAZINE-6-THIONE
SpectraBase Compound ID 7cVPUrsQ0jp
InChI InChI=1S/C21H13Br2N3OS5/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 YQGWUGOPNUGXTQ-OBGWFSINSA-N
Mol Weight 643.5 g/mol
Molecular Formula C21H13Br2N3OS5
Exact Mass 640.802894 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5c4akJRe8yL
Name (E)-4-ETHYL-3-OXO-5-[3,5-DI-(4-BROMOPHENYL)-[1,3,4]-THIADIAZOL-2-YLIDENYL]-[1,2]-DITHIOLO-[3,4-B]-[1,4]-THIAZINE-6-THIONE
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H13Br2N3OS5
InChI InChI=1S/C21H13Br2N3OS5/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 YQGWUGOPNUGXTQ-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 643.462 g/mol
Solvent CDCl3
Source File Reference UWVN24087