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(5Z)-5-{[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylene}-1-(4-fluorophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

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(5Z)-5-{[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylene}-1-(4-fluorophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID KTy7hXFX3j4
InChI InChI=1S/C22H17FN4O2S/c1-13-10-15(14(2)26(13)18-4-3-9-24-12-18)11-19-20(28)25-22(30)27(21(19)29)17-7-5-16(23)6-8-17/h3-12H,1-2H3,(H,25,28,30)/b19-11-
InChIKey XEWSSPDJKUKTLM-ODLFYWEKSA-N
Mol Weight 420.46 g/mol
Molecular Formula C22H17FN4O2S
Exact Mass 420.105625 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bemy0TY9SDg
Name (5Z)-5-{[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylene}-1-(4-fluorophenyl)-2-thioxodihydro-4,6(1H,5H)-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/C22H17FN4O2S/c1-13-10-15(14(2)26(13)18-4-3-9-24-12-18)11-19-20(28)25-22(30)27(21(19)29)17-7-5-16(23)6-8-17/h3-12H,1-2H3,(H,25,28,30)/b19-11-
InChIKey XEWSSPDJKUKTLM-ODLFYWEKSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8320
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: D36110; Labnumber: SPDEM4-22148; SBI_ID: SBI-008323
Synonyms 5-{[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylene}-1-(4-fluorophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 318 °C