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5-[(pyrrol-2-yl)methylene]barbituric acid

View entire compound with spectra: 2 NMR, and 1 FTIR

5-[(pyrrol-2-yl)methylene]barbituric acid
SpectraBase Compound ID HK2Kuro3B1t
InChI InChI=1S/C9H7N3O3/c13-7-6(4-5-2-1-3-10-5)8(14)12-9(15)11-7/h1-4,10H,(H2,11,12,13,14,15)
InChIKey PIQVFMMKNFBHKA-UHFFFAOYSA-N
Mol Weight 205.17 g/mol
Molecular Formula C9H7N3O3
Exact Mass 205.048741 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6fFafpmovGv
Name 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/C9H7N3O3/c13-7-6(4-5-2-1-3-10-5)8(14)12-9(15)11-7/h1-4,10H,(H2,11,12,13,14,15)
InChIKey PIQVFMMKNFBHKA-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_431
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: 602224NC98SP32-406; Labnumber: 602224NC98SP32-406; VK_ID: VK-000432
Temperature 318 °C