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(4E)-4-(3,4-Dihydroxybenzylidene)-1-(4-iodophenyl)-3,5-pyrazolidinedione
SpectraBase Compound ID 1AAwHLApbyv
InChI InChI=1S/C16H11IN2O4/c17-10-2-4-11(5-3-10)19-16(23)12(15(22)18-19)7-9-1-6-13(20)14(21)8-9/h1-8,20-21H,(H,18,22)/b12-7+
InChIKey XUUINXQJRNWFLU-KPKJPENVSA-N
Mol Weight 422.18 g/mol
Molecular Formula C16H11IN2O4
Exact Mass 421.976352 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1mIIm9NkE1h
Name (4E)-4-(3,4-Dihydroxybenzylidene)-1-(4-iodophenyl)-3,5-pyrazolidinedione
CAS Registry Number 331667-56-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11IN2O4
InChI InChI=1S/C16H11IN2O4/c17-10-2-4-11(5-3-10)19-16(23)12(15(22)18-19)7-9-1-6-13(20)14(21)8-9/h1-8,20-21H,(H,18,22)/b12-7+
InChIKey XUUINXQJRNWFLU-KPKJPENVSA-N
Molecular Weight 422.178 g/mol
SMILES N1C(\C(=C/c2cc(c(cc2)O)O)C(N1c1ccc(cc1)I)=O)=O
SPLASH splash10-03k9-7920300000-a59ad2fff3c743b3ac80
Synonyms (4E)-4-(3,4-dihydroxybenzylidene)-1-(4-iodophenyl)pyrazolidine-3,5-quinone (4E)-4-[(3,4-dihydroxyphenyl)methylene]-1-(4-iodophenyl)pyrazolidine-3,5-dione (4E)-4-[(3,4-dihydroxyphenyl)methylidene]-1-(4-iodophenyl)pyrazolidine-3,5-dione (4E)-4-[[3,4-bis(oxidanyl)phenyl]methylidene]-1-(4-iodophenyl)pyrazolidine-3,5-dione 4-(3,4-Dihydroxy-benzylidene)-1-(4-iodo-phenyl)-pyrazolidine-3,5-dione
Wiley ID 1459138