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Iodonium, (2-hydroxy-3,5-dinitrophenyl)(pentafluorophenyl)-, hydroxide, inner salt
SpectraBase Compound ID ChKjiVPdzRx
InChI InChI=1S/C12H2F5IN2O5/c13-6-7(14)9(16)11(10(17)8(6)15)18-4-1-3(19(22)23)2-5(12(4)21)20(24)25/h1-2H
InChIKey MLPJGHSXWLSMLH-UHFFFAOYSA-N
Mol Weight 476.05 g/mol
Molecular Formula C12H2F5IN2O5
Exact Mass 475.892857 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IrIsTIbLML
Name Iodonium, (2-hydroxy-3,5-dinitrophenyl)(pentafluorophenyl)-, hydroxide, inner salt
CAS Registry Number 89563-21-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H2F5IN2O5
InChI InChI=1S/C12H2F5IN2O5/c13-6-7(14)9(16)11(10(17)8(6)15)18-4-1-3(19(22)23)2-5(12(4)21)20(24)25/h1-2H
InChIKey MLPJGHSXWLSMLH-UHFFFAOYSA-N
Molecular Weight 476.053 g/mol
SMILES c1([I+]c2c(c(N(=O)=O)cc(N(=O)=O)c2)[O-])c(c(F)c(c(c1F)F)F)F
SPLASH splash10-004i-0190800000-873a7c5fd37938954a80
Source of Spectrum KC-1984-136-0
Synonyms Benzene, pentafluoro(2-iodo-4,6-dinitrophenoxy)- 2,4-Dinitro-6-pentafluorophenyliodoniophenolate 2,4-Dinitro-6-[(2,3,4,5,6-pentafluorophenyl)iodonio]benzenolate Zwitterion of 2,4-dinitro-6-pentafluorophenyliodoniophenolate
Wiley ID 1394177