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

View entire compound with spectra: 1 NMR

DIETHYL-[1-[4-(4-CHLOROPHENYL)-THIAZOL-2-YL]-4-CYANO-3-(4-HYDROXYPHENYL)-1H-PYRAZOL-5-YLAMINO]-(PHENYL)-METHYLPHOSPHONATE
SpectraBase Compound ID CByaKlqrQSN
InChI InChI=1S/2C30H27ClN5O4PS/c2*1-3-39-41(38,40-4-2)29(22-8-6-5-7-9-22)34-28-25(18-32)27(21-12-16-24(37)17-13-21)35-36(28)30-33-26(19-42-30)20-10-14-23(31)15-11-20/h2*5-17,19,29,34,37H,3-4H2,1-2H3
InChIKey WXCQLOHLNSTVOR-UHFFFAOYSA-N
Mol Weight 1240.13 g/mol
Molecular Formula C60H54Cl2N10O8P2S2
Exact Mass 1238.24198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 71hKd0WViCX
Name DIETHYL-[1-[4-(4-CHLOROPHENYL)-THIAZOL-2-YL]-4-CYANO-3-(4-HYDROXYPHENYL)-1H-PYRAZOL-5-YLAMINO]-(PHENYL)-METHYLPHOSPHONATE
Compound Number 4H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H54Cl2N10O8P2S2
InChI InChI=1S/2C30H27ClN5O4PS/c2*1-3-39-41(38,40-4-2)29(22-8-6-5-7-9-22)34-28-25(18-32)27(21-12-16-24(37)17-13-21)35-36(28)30-33-26(19-42-30)20-10-14-23(31)15-11-20/h2*5-17,19,29,34,37H,3-4H2,1-2H3
InChIKey WXCQLOHLNSTVOR-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 1240.124 g/mol
Solvent CDCl3
Source File Reference UWBT13488