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

View entire compound with spectra: 1 NMR

DIMETHYL-[1-[4-(4-CHLOROPHENYL)-THIAZOL-2-YL]-4-CYANO-3-(4-HYDROXYPHENYL)-1H-PYRAZOL-5-YLAMINO]-(2-CHLOROPHENYL)-METHYLPHOSPHONATE
SpectraBase Compound ID 70AXOkTcvwg
InChI InChI=1S/2C28H22Cl2N5O4PS/c2*1-38-40(37,39-2)27(19-5-11-21(30)12-6-19)33-26-23(15-31)25(18-7-13-22(36)14-8-18)34-35(26)28-32-24(16-41-28)17-3-9-20(29)10-4-17/h2*3-14,16,27,33,36H,1-2H3
InChIKey FJFVLIFJVWQJRT-UHFFFAOYSA-N
Mol Weight 1252.91 g/mol
Molecular Formula C56H44Cl4N10O8P2S2
Exact Mass 1250.101436 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2mADCQopyh0
Name DIMETHYL-[1-[4-(4-CHLOROPHENYL)-THIAZOL-2-YL]-4-CYANO-3-(4-HYDROXYPHENYL)-1H-PYRAZOL-5-YLAMINO]-(2-CHLOROPHENYL)-METHYLPHOSPHONATE
Compound Number 4I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H44Cl4N10O8P2S2
InChI InChI=1S/2C28H22Cl2N5O4PS/c2*1-38-40(37,39-2)27(19-5-11-21(30)12-6-19)33-26-23(15-31)25(18-7-13-22(36)14-8-18)34-35(26)28-32-24(16-41-28)17-3-9-20(29)10-4-17/h2*3-14,16,27,33,36H,1-2H3
InChIKey FJFVLIFJVWQJRT-UHFFFAOYSA-N
Literature Reference Author A.A.SEDIEK,M.S.MUDARRIS,A.A.SHADDY
Literature Reference Citation LIFE.SCI.J.,11,9(2014)
Molecular Weight 1252.907 g/mol
Solvent CDCl3
Source File Reference UWBT13489