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#13;ETHYL-2-[[[8-(ETHOXYCARBONYL)-6-CYANO-3,5-DIHYDRO-7-(4-METHOXYPHENYL)-5-OXO-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIDINE-2-YL-THIO]-METHYL]-SULFANYL]-6-CYANO-3,5-DIHY

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#13;ETHYL-2-[[[8-(ETHOXYCARBONYL)-6-CYANO-3,5-DIHYDRO-7-(4-METHOXYPHENYL)-5-OXO-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIDINE-2-YL-THIO]-METHYL]-SULFANYL]-6-CYANO-3,5-DIHY
SpectraBase Compound ID 2tVffC4e4M9
InChI InChI=1S/C35H28N8O8S2/c1-5-50-32(46)26-24(18-7-11-20(48-3)12-8-18)22(15-36)30(44)42-28(26)38-34(40-42)52-17-53-35-39-29-27(33(47)51-6-2)25(19-9-13-21(49-4)14-10-19)23(16-37)31(45)43(29)41-35/h7-14H,5-6,17H2,1-4H3,(H,38,40)(H,39,41)
InChIKey BPSWCQQKDIRSBF-UHFFFAOYSA-N
Mol Weight 752.8 g/mol
Molecular Formula C35H28N8O8S2
Exact Mass 752.147152 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JWFt0w62b3w
Name #13;ETHYL-2-[[[8-(ETHOXYCARBONYL)-6-CYANO-3,5-DIHYDRO-7-(4-METHOXYPHENYL)-5-OXO-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIDINE-2-YL-THIO]-METHYL]-SULFANYL]-6-CYANO-3,5-DIHY
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H28N8O8S2
InChI InChI=1S/C35H28N8O8S2/c1-5-50-32(46)26-24(18-7-11-20(48-3)12-8-18)22(15-36)30(44)42-28(26)38-34(40-42)52-17-53-35-39-29-27(33(47)51-6-2)25(19-9-13-21(49-4)14-10-19)23(16-37)31(45)43(29)41-35/h7-14H,5-6,17H2,1-4H3,(H,38,40)(H,39,41)
InChIKey BPSWCQQKDIRSBF-UHFFFAOYSA-N
Literature Reference Author F.F.ABDEL-MOTAAL,M.A.E.RASLAN
Literature Reference Citation EUR.J.CHEM.,5,481(2014)
Literature Reference DOI 10.5155/eurjchem.5.3.481-487.1054
Molecular Weight 752.776 g/mol
Solvent CDCl3
Source File Reference UWIR17753