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2-[2-[2-(1,3-DIMETHYL-XANTHIN-7-YL)-ACETHYL]-HYDRAZONO]-3-PHENYL-5-(4-N-DIMETHYLAMINOBENZYLIDEN)-THIAZOLIDIN-4-ONE
SpectraBase Compound ID 5R1Uf1wSpBL
InChI InChI=1S/C27H26N8O4S/c1-31(2)18-12-10-17(11-13-18)14-20-24(37)35(19-8-6-5-7-9-19)26(40-20)30-29-21(36)15-34-16-28-23-22(34)25(38)33(4)27(39)32(23)3/h5-14,16H,15H2,1-4H3,(H,29,36)/b20-14-,30-26+
InChIKey CYBSQXJICVPGAF-VGKFPPJTSA-N
Mol Weight 558.62 g/mol
Molecular Formula C27H26N8O4S
Exact Mass 558.179773 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ki6LxodKwO4
Name 2-[2-[2-(1,3-DIMETHYL-XANTHIN-7-YL)-ACETHYL]-HYDRAZONO]-3-PHENYL-5-(4-N-DIMETHYLAMINOBENZYLIDEN)-THIAZOLIDIN-4-ONE
Compound Number 7A6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H26N8O4S
InChI InChI=1S/C27H26N8O4S/c1-31(2)18-12-10-17(11-13-18)14-20-24(37)35(19-8-6-5-7-9-19)26(40-20)30-29-21(36)15-34-16-28-23-22(34)25(38)33(4)27(39)32(23)3/h5-14,16H,15H2,1-4H3,(H,29,36)/b20-14-,30-26+
InChIKey CYBSQXJICVPGAF-VGKFPPJTSA-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 558.615 g/mol
Solvent DMSO-D6
Source File Reference UWIR9122