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

*Links on SpectraBase are not permalinks.

5-{(E)-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-6-hydroxy-3-(4-methylphenyl)-2,4(1H,3H)-pyrimidinedione

View entire compound with spectra: 1 NMR

5-{(E)-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-6-hydroxy-3-(4-methylphenyl)-2,4(1H,3H)-pyrimidinedione
SpectraBase Compound ID 6n8Hph3Q1gV
InChI InChI=1S/C22H17ClN4O4/c1-12-3-7-15(8-4-12)26-20(29)18(19(28)24-22(26)31)11-17-13(2)25-27(21(17)30)16-9-5-14(23)6-10-16/h3-11,28H,1-2H3,(H,24,31)/b17-11+
InChIKey VQZXPZCIKVNYRF-GZTJUZNOSA-N
Mol Weight 436.86 g/mol
Molecular Formula C22H17ClN4O4
Exact Mass 436.093833 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID BDL3o7DETcc
Name 5-{(E)-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-6-hydroxy-3-(4-methylphenyl)-2,4(1H,3H)-pyrimidinedione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H17ClN4O4/c1-12-3-7-15(8-4-12)26-20(29)18(19(28)24-22(26)31)11-17-13(2)25-27(21(17)30)16-9-5-14(23)6-10-16/h3-11,28H,1-2H3,(H,24,31)/b17-11+
InChIKey VQZXPZCIKVNYRF-GZTJUZNOSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_34424
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 8056121; SBI_ID: SBI-034428
Synonyms 5-{[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-6-hydroxy-3-(4-methylphenyl)-2,4(1H,3H)-pyrimidinedione
Temperature 315 °C