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2-[2-[2-(1,3-DIMETHYL-XANTHIN-7-YL)-ACETHYL]-HYDRAZONO]-3-(4-CHLOROPHENYL)-5-(2-NITROBENZYLIDEN)-THIAZOLIDIN-4-ONE
SpectraBase Compound ID ARrCv3hsXYD
InChI InChI=1S/C25H19ClN8O6S/c1-30-21-20(23(37)31(2)25(30)38)32(13-27-21)12-19(35)28-29-24-33(16-9-7-15(26)8-10-16)22(36)18(41-24)11-14-5-3-4-6-17(14)34(39)40/h3-11,13H,12H2,1-2H3,(H,28,35)/b18-11-,29-24+
InChIKey RLAKJDPOWYCUCQ-VZUCOSSDSA-N
Mol Weight 594.99 g/mol
Molecular Formula C25H19ClN8O6S
Exact Mass 594.083679 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ZG0MB8vBr2
Name 2-[2-[2-(1,3-DIMETHYL-XANTHIN-7-YL)-ACETHYL]-HYDRAZONO]-3-(4-CHLOROPHENYL)-5-(2-NITROBENZYLIDEN)-THIAZOLIDIN-4-ONE
Compound Number 7B7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H19ClN8O6S
InChI InChI=1S/C25H19ClN8O6S/c1-30-21-20(23(37)31(2)25(30)38)32(13-27-21)12-19(35)28-29-24-33(16-9-7-15(26)8-10-16)22(36)18(41-24)11-14-5-3-4-6-17(14)34(39)40/h3-11,13H,12H2,1-2H3,(H,28,35)/b18-11-,29-24+
InChIKey RLAKJDPOWYCUCQ-VZUCOSSDSA-N
Literature Reference Author F.G.LUPASCU,O.M.DRAGOSTIN,L.FOIA,D.LUPASCU,L.PROFIRE
Literature Reference Citation MOLECULES,18,9684(2013)
Literature Reference DOI 10.3390/molecules18089684
Molecular Weight 594.989 g/mol
Solvent DMSO-D6
Source File Reference UWIR9130