For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
DIMETHYL-[4-CYANO-3-(4-HYDROXYPHENYL)-1-(4-PHENYLTHIAZOL-2-YL)-1H-PYRAZOL-5-YLAMINO]-(2-CHLOROPHENYL)-METHYLPHOSPHONATE
SpectraBase Compound ID 2qGFCSDIXde
InChI InChI=1S/2C28H23ClN5O4PS/c2*1-37-39(36,38-2)27(21-10-6-7-11-23(21)29)32-26-22(16-30)25(19-12-14-20(35)15-13-19)33-34(26)28-31-24(17-40-28)18-8-4-3-5-9-18/h2*3-15,17,27,32,35H,1-2H3
InChIKey BORTUTKGHKTIHK-UHFFFAOYSA-N
Mol Weight 1184.02 g/mol
Molecular Formula C56H46Cl2N10O8P2S2
Exact Mass 1182.17938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8gUbWY7F7YY
Name DIMETHYL-[4-CYANO-3-(4-HYDROXYPHENYL)-1-(4-PHENYLTHIAZOL-2-YL)-1H-PYRAZOL-5-YLAMINO]-(2-CHLOROPHENYL)-METHYLPHOSPHONATE
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H46Cl2N10O8P2S2
InChI InChI=1S/2C28H23ClN5O4PS/c2*1-37-39(36,38-2)27(21-10-6-7-11-23(21)29)32-26-22(16-30)25(19-12-14-20(35)15-13-19)33-34(26)28-31-24(17-40-28)18-8-4-3-5-9-18/h2*3-15,17,27,32,35H,1-2H3
InChIKey BORTUTKGHKTIHK-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 1184.017 g/mol
Solvent CDCl3
Source File Reference UWBT13483