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DIMETHYL-[4-CYANO-3-(4-HYDROXYPHENYL)-1-(4-PHENYLTHIAZOL-2-YL)-1H-PYRAZOL-5-YLAMINO]-(PHENYL)-METHYLPHOSPHONATE
SpectraBase Compound ID F4qENGdRb2P
InChI InChI=1S/2C28H24N5O4PS/c2*1-36-38(35,37-2)27(21-11-7-4-8-12-21)31-26-23(17-29)25(20-13-15-22(34)16-14-20)32-33(26)28-30-24(18-39-28)19-9-5-3-6-10-19/h2*3-16,18,27,31,34H,1-2H3
InChIKey BLYPFIWTOVVDHO-UHFFFAOYSA-N
Mol Weight 1115.13 g/mol
Molecular Formula C56H48N10O8P2S2
Exact Mass 1114.257325 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fzh6HIGiPpS
Name DIMETHYL-[4-CYANO-3-(4-HYDROXYPHENYL)-1-(4-PHENYLTHIAZOL-2-YL)-1H-PYRAZOL-5-YLAMINO]-(PHENYL)-METHYLPHOSPHONATE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H48N10O8P2S2
InChI InChI=1S/2C28H24N5O4PS/c2*1-36-38(35,37-2)27(21-11-7-4-8-12-21)31-26-23(17-29)25(20-13-15-22(34)16-14-20)32-33(26)28-30-24(18-39-28)19-9-5-3-6-10-19/h2*3-16,18,27,31,34H,1-2H3
InChIKey BLYPFIWTOVVDHO-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 1115.127 g/mol
Solvent CDCl3
Source File Reference UWBT13481