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DIMETHYL-[1-[4-(4-CHLOROPHENYL)-THIAZOL-2-YL]-4-CYANO-3-(4-HYDROXYPHENYL)-1H-PYRAZOL-5-YLAMINO]-(PHENYL)-METHYLPHOSPHONATE

View entire compound with spectra: 2 NMR

DIMETHYL-[1-[4-(4-CHLOROPHENYL)-THIAZOL-2-YL]-4-CYANO-3-(4-HYDROXYPHENYL)-1H-PYRAZOL-5-YLAMINO]-(PHENYL)-METHYLPHOSPHONATE
SpectraBase Compound ID I77IpU9Zakg
InChI InChI=1S/2C28H23ClN5O4PS/c2*1-37-39(36,38-2)27(20-6-4-3-5-7-20)32-26-23(16-30)25(19-10-14-22(35)15-11-19)33-34(26)28-31-24(17-40-28)18-8-12-21(29)13-9-18/h2*3-15,17,27,32,35H,1-2H3
InChIKey AIWGLXBALMYBKT-UHFFFAOYSA-N
Mol Weight 1184.02 g/mol
Molecular Formula C56H46Cl2N10O8P2S2
Exact Mass 1182.17938 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2mqmdheUA9x
Name DIMETHYL-[1-[4-(4-CHLOROPHENYL)-THIAZOL-2-YL]-4-CYANO-3-(4-HYDROXYPHENYL)-1H-PYRAZOL-5-YLAMINO]-(PHENYL)-METHYLPHOSPHONATE
Compound Number 4G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H46Cl2N10O8P2S2
InChI InChI=1S/2C28H23ClN5O4PS/c2*1-37-39(36,38-2)27(20-6-4-3-5-7-20)32-26-23(16-30)25(19-10-14-22(35)15-11-19)33-34(26)28-31-24(17-40-28)18-8-12-21(29)13-9-18/h2*3-15,17,27,32,35H,1-2H3
InChIKey AIWGLXBALMYBKT-UHFFFAOYSA-N
Literature Reference Author A.A.SEDIEK,M.S.MUDARRIS,A.A.SHADDY
Literature Reference Citation LIFE.SCI.J.,11,9(2014)
Solvent CDCl3
Source File Reference UWBT13487