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

*Links on SpectraBase are not permalinks.

2-chloro-5-{3-[(Z)-(1-(2-fluorophenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid

Compound with spectra: 1 NMR

2-chloro-5-{3-[(Z)-(1-(2-fluorophenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
SpectraBase Compound ID DkxRQmpeMaV
InChI InChI=1S/C24H17ClFN3O4S/c1-12-9-14(13(2)28(12)15-7-8-18(25)16(11-15)23(32)33)10-17-21(30)27-24(34)29(22(17)31)20-6-4-3-5-19(20)26/h3-11H,1-2H3,(H,32,33)(H,27,30,34)/b17-10-
InChIKey FOPOSXIYFISPTP-YVLHZVERSA-N
Mol Weight 497.93 g/mol
Molecular Formula C24H17ClFN3O4S
Exact Mass 497.061233 g/mol

View Spectrum of 2-chloro-5-{3-[(Z)-(1-(2-fluorophenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid

1H NMR Spectrum
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
Solvent DMSO-d6
  • 2-chloro-5-{3-[(1-(2-fluorophenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
5-{3-[(E)-(1-(4-bromo-2-methylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-2-chlorobenzoic acid
2-chloro-4-{3-[(Z)-(1-(2-fluorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
(5Z)-1-(2,5-dimethoxyphenyl)-5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
(5Z)-1-(2,5-dimethoxyphenyl)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
(5E)-1-(2,4-dimethoxyphenyl)-5-{[2,5-dimethyl-1-(5-methyl-2-pyridinyl)-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
3-{3-[(E)-(1-(4-methoxyphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-2-methylbenzoic acid
(6E)-6-{[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
(5E)-1-(2,5-dimethoxyphenyl)-5-[(1-propyl-1H-indol-3-yl)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
(6E)-5-imino-6-{[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-pentyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
(6E)-6-{[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-(phenoxymethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.