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(5E)-1-(5-chloro-2-methylphenyl)-5-(1H-pyrrol-2-ylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione

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(5E)-1-(5-chloro-2-methylphenyl)-5-(1H-pyrrol-2-ylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID K9nUX06Fohp
InChI InChI=1S/C16H12ClN3O3/c1-9-4-5-10(17)7-13(9)20-15(22)12(14(21)19-16(20)23)8-11-3-2-6-18-11/h2-8,18H,1H3,(H,19,21,23)/b12-8+
InChIKey YVEVFLQLKWLMHN-XYOKQWHBSA-N
Mol Weight 329.74 g/mol
Molecular Formula C16H12ClN3O3
Exact Mass 329.056719 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8BHAOzJyxTy
Name (5E)-1-(5-chloro-2-methylphenyl)-5-(1H-pyrrol-2-ylmethylene)-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/C16H12ClN3O3/c1-9-4-5-10(17)7-13(9)20-15(22)12(14(21)19-16(20)23)8-11-3-2-6-18-11/h2-8,18H,1H3,(H,19,21,23)/b12-8+
InChIKey YVEVFLQLKWLMHN-XYOKQWHBSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10784
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: E03116; Labnumber: KV-2609; SBI_ID: SBI-010787
Synonyms 1-(5-chloro-2-methylphenyl)-5-(1H-pyrrol-2-ylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 308 °C