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DIMETHYL-[1-[4-(4-CHLOROPHENYL)-THIAZOL-2-YL]-4-CYANO-3-(4-HYDROXYPHENYL)-1H-PYRAZOL-5-YLAMINO]-(4-METHOXYPHENYL)-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]-(4-METHOXYPHENYL)-METHYLPHOSPHONATE
SpectraBase Compound ID IcFRyHdXcux
InChI InChI=1S/2C29H25ClN5O5PS/c2*1-38-23-14-8-20(9-15-23)28(41(37,39-2)40-3)33-27-24(16-31)26(19-6-12-22(36)13-7-19)34-35(27)29-32-25(17-42-29)18-4-10-21(30)11-5-18/h2*4-15,17,28,33,36H,1-3H3
InChIKey HBKLKTHSFKKNTB-UHFFFAOYSA-N
Mol Weight 1244.07 g/mol
Molecular Formula C58H50Cl2N10O10P2S2
Exact Mass 1242.20051 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6XVUN203Y2E
Name DIMETHYL-[1-[4-(4-CHLOROPHENYL)-THIAZOL-2-YL]-4-CYANO-3-(4-HYDROXYPHENYL)-1H-PYRAZOL-5-YLAMINO]-(4-METHOXYPHENYL)-METHYLPHOSPHONATE
Compound Number 4K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H50Cl2N10O10P2S2
InChI InChI=1S/2C29H25ClN5O5PS/c2*1-38-23-14-8-20(9-15-23)28(41(37,39-2)40-3)33-27-24(16-31)26(19-6-12-22(36)13-7-19)34-35(27)29-32-25(17-42-29)18-4-10-21(30)11-5-18/h2*4-15,17,28,33,36H,1-3H3
InChIKey HBKLKTHSFKKNTB-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 1244.070 g/mol
Solvent CDCl3
Source File Reference UWBT13491