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(E)-4-ETHYL-3-OXO-5-(3,5-DIPHENYL-[1,3,4]-THIADIAZOL-2-YLIDENYL)-[1,2]-DITHIOLO-[3,4-B]-[1,4]-THIAZINE-6-THIONE
SpectraBase Compound ID 8voR32YXC4z
InChI InChI=1S/C21H15N3OS5/c1-2-23-15(20(26)28-21-16(23)19(25)29-30-21)18-24(14-11-7-4-8-12-14)22-17(27-18)13-9-5-3-6-10-13/h3-12H,2H2,1H3/b18-15+
InChIKey BPCKZPSKOBYOIL-OBGWFSINSA-N
Mol Weight 485.7 g/mol
Molecular Formula C21H15N3OS5
Exact Mass 484.981868 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K4XRRQLYh8B
Name (E)-4-ETHYL-3-OXO-5-(3,5-DIPHENYL-[1,3,4]-THIADIAZOL-2-YLIDENYL)-[1,2]-DITHIOLO-[3,4-B]-[1,4]-THIAZINE-6-THIONE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H15N3OS5
InChI InChI=1S/C21H15N3OS5/c1-2-23-15(20(26)28-21-16(23)19(25)29-30-21)18-24(14-11-7-4-8-12-14)22-17(27-18)13-9-5-3-6-10-13/h3-12H,2H2,1H3/b18-15+
InChIKey BPCKZPSKOBYOIL-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 485.670 g/mol
Solvent CDCl3
Source File Reference UWVN24085