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DIETHYL-[4-CYANO-3-(4-HYDROXYPHENYL)-1-(4-PHENYLTHIAZOL-2-YL)-1H-PYRAZOL-5-YLAMINO]-(PHENYL)-METHYLPHOSPHONATE
SpectraBase Compound ID 3RRlzoS3tL
InChI InChI=1S/2C30H28N5O4PS/c2*1-3-38-40(37,39-4-2)29(23-13-9-6-10-14-23)33-28-25(19-31)27(22-15-17-24(36)18-16-22)34-35(28)30-32-26(20-41-30)21-11-7-5-8-12-21/h2*5-18,20,29,33,36H,3-4H2,1-2H3
InChIKey VRFDMZWWAKLPFC-UHFFFAOYSA-N
Mol Weight 1171.24 g/mol
Molecular Formula C60H56N10O8P2S2
Exact Mass 1170.319925 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7XdTl7KXtGj
Name DIETHYL-[4-CYANO-3-(4-HYDROXYPHENYL)-1-(4-PHENYLTHIAZOL-2-YL)-1H-PYRAZOL-5-YLAMINO]-(PHENYL)-METHYLPHOSPHONATE
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H56N10O8P2S2
InChI InChI=1S/2C30H28N5O4PS/c2*1-3-38-40(37,39-4-2)29(23-13-9-6-10-14-23)33-28-25(19-31)27(22-15-17-24(36)18-16-22)34-35(28)30-32-26(20-41-30)21-11-7-5-8-12-21/h2*5-18,20,29,33,36H,3-4H2,1-2H3
InChIKey VRFDMZWWAKLPFC-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 1171.234 g/mol
Solvent CDCl3
Source File Reference UWBT13482