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BIS-[2-(5-ETHOXYCARBONYL-3-ORTHO-NITROPHENYL-1,3,4-THIADIAZOL-2-YLIDENEAMINO)-PHENYL]-DISULFIDE
SpectraBase Compound ID KSDk1TZ9G3k
InChI InChI=1S/C34H26N8O8S4/c1-3-49-31(43)29-37-39(23-15-7-9-17-25(23)41(45)46)33(51-29)35-21-13-5-11-19-27(21)53-54-28-20-12-6-14-22(28)36-34-40(38-30(52-34)32(44)50-4-2)24-16-8-10-18-26(24)42(47)48/h5-20H,3-4H2,1-2H3/b35-33-,36-34-
InChIKey LFKBPLFTKFTZJT-SGRXOXICSA-N
Mol Weight 802.9 g/mol
Molecular Formula C34H26N8O8S4
Exact Mass 802.075645 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5XSyPhbRljA
Name BIS-[2-(5-ETHOXYCARBONYL-3-ORTHO-NITROPHENYL-1,3,4-THIADIAZOL-2-YLIDENEAMINO)-PHENYL]-DISULFIDE
Compound Number III-H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H26N8O8S4
InChI InChI=1S/C34H26N8O8S4/c1-3-49-31(43)29-37-39(23-15-7-9-17-25(23)41(45)46)33(51-29)35-21-13-5-11-19-27(21)53-54-28-20-12-6-14-22(28)36-34-40(38-30(52-34)32(44)50-4-2)24-16-8-10-18-26(24)42(47)48/h5-20H,3-4H2,1-2H3/b35-33-,36-34-
InChIKey LFKBPLFTKFTZJT-SGRXOXICSA-N
Literature Reference Author O.V.FIRSOVA,T.S.DOLGUSHINA,V.A.POLUKEEV,V.E.ZAVODNIK,A.I.STA SH,V.K.BELSKII,V.A.G
Literature Reference Citation RUSS.J.ORG.CHEM.,40,1018(2004)
Literature Reference DOI 10.1023/B:RUJO.0000045197.43364.1d
Molecular Weight 802.869 g/mol
Solvent DMSO-D6
Source File Reference UWMZ16457