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5-(3-iodobenzylidene)barbituric acid

View entire compound with spectra: 1 MS (GC)

5-(3-iodobenzylidene)barbituric acid
SpectraBase Compound ID A2dt4nTxlt6
InChI InChI=1S/C11H7IN2O3/c12-7-3-1-2-6(4-7)5-8-9(15)13-11(17)14-10(8)16/h1-5H,(H2,13,14,15,16,17)
InChIKey PZVSMYBQONGZAA-UHFFFAOYSA-N
Mol Weight 342.09 g/mol
Molecular Formula C11H7IN2O3
Exact Mass 341.950137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A7yUK0LZ1P2
Name 5-(3-iodobenzylidene)barbituric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H7IN2O3
InChI InChI=1S/C11H7IN2O3/c12-7-3-1-2-6(4-7)5-8-9(15)13-11(17)14-10(8)16/h1-5H,(H2,13,14,15,16,17)
InChIKey PZVSMYBQONGZAA-UHFFFAOYSA-N
Molecular Weight 342.092 g/mol
SMILES N1C(NC(C(C1=O)=Cc1cc(I)ccc1)=O)=O
SPLASH splash10-0fvl-2933000000-ca4be71ac4f9396850a4
Source of Spectrum HC-20-797-0
Synonyms 5-[(3-iodanylphenyl)methylidene]-1,3-diazinane-2,4,6-trione 5-[(3-iodophenyl)methylene]hexahydropyrimidine-2,4,6-trione 5-[(3-iodophenyl)methylidene]-1,3-diazinane-2,4,6-trione
Wiley ID 1336177