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DIMETHYL-[4-CYANO-3-(4-HYDROXYPHENYL)-1-(4-PHENYLTHIAZOL-2-YL)-1H-PYRAZOL-5-YLAMINO]-(4-METHOXYPHENYL)-METHYLPHOSPHONATE
SpectraBase Compound ID 54yspftpQhs
InChI InChI=1S/2C29H26N5O5PS/c2*1-37-23-15-11-21(12-16-23)28(40(36,38-2)39-3)32-27-24(17-30)26(20-9-13-22(35)14-10-20)33-34(27)29-31-25(18-41-29)19-7-5-4-6-8-19/h2*4-16,18,28,32,35H,1-3H3
InChIKey HHAMVLHNFAJTDS-UHFFFAOYSA-N
Mol Weight 1175.18 g/mol
Molecular Formula C58H52N10O10P2S2
Exact Mass 1174.278454 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IAboVfyt5eq
Name DIMETHYL-[4-CYANO-3-(4-HYDROXYPHENYL)-1-(4-PHENYLTHIAZOL-2-YL)-1H-PYRAZOL-5-YLAMINO]-(4-METHOXYPHENYL)-METHYLPHOSPHONATE
Compound Number 4E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H52N10O10P2S2
InChI InChI=1S/2C29H26N5O5PS/c2*1-37-23-15-11-21(12-16-23)28(40(36,38-2)39-3)32-27-24(17-30)26(20-9-13-22(35)14-10-20)33-34(27)29-31-25(18-41-29)19-7-5-4-6-8-19/h2*4-16,18,28,32,35H,1-3H3
InChIKey HHAMVLHNFAJTDS-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 1175.179 g/mol
Solvent CDCl3
Source File Reference UWBT13485