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(5E)-3-(4-chlorobenzyl)-5-{[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylene}-2,4-imidazolidinedione
SpectraBase Compound ID GEmfmVOocnD
InChI InChI=1S/C22H19ClN4O2/c1-14-10-17(15(2)27(14)19-4-3-9-24-12-19)11-20-21(28)26(22(29)25-20)13-16-5-7-18(23)8-6-16/h3-12H,13H2,1-2H3,(H,25,29)/b20-11+
InChIKey SHINIMDGACQAGO-RGVLZGJSSA-N
Mol Weight 406.87 g/mol
Molecular Formula C22H19ClN4O2
Exact Mass 406.119654 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 59lZTLRiZ58
Name (5E)-3-(4-chlorobenzyl)-5-{[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylene}-2,4-imidazolidinedione
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/C22H19ClN4O2/c1-14-10-17(15(2)27(14)19-4-3-9-24-12-19)11-20-21(28)26(22(29)25-20)13-16-5-7-18(23)8-6-16/h3-12H,13H2,1-2H3,(H,25,29)/b20-11+
InChIKey SHINIMDGACQAGO-RGVLZGJSSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14204
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: UZI/1011191; UBI_ID: UBI-014207
Synonyms 3-(4-chlorobenzyl)-5-{[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylene}-2,4-imidazolidinedione
Temperature 308 °C