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(5E)-5-{[1-(3-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID CcGW5sx1fMj
InChI InChI=1S/C18H16IN3O3/c1-10-7-12(8-15-16(23)20-18(25)21(3)17(15)24)11(2)22(10)14-6-4-5-13(19)9-14/h4-9H,1-3H3,(H,20,23,25)/b15-8+
InChIKey SFBYPVUDAQAASF-OVCLIPMQSA-N
Mol Weight 449.25 g/mol
Molecular Formula C18H16IN3O3
Exact Mass 449.023636 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4Y2BDnl9VXb
Name (5E)-5-{[1-(3-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione
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/C18H16IN3O3/c1-10-7-12(8-15-16(23)20-18(25)21(3)17(15)24)11(2)22(10)14-6-4-5-13(19)9-14/h4-9H,1-3H3,(H,20,23,25)/b15-8+
InChIKey SFBYPVUDAQAASF-OVCLIPMQSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10077
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: 1001272; UBI_ID: UBI-010080
Synonyms 5-{[1-(3-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 315 °C