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4-Acetoxy-3,5-diiodo-benzoic acid
SpectraBase Compound ID GwOFb4nQZvO
InChI InChI=1S/C9H6I2O4/c1-4(12)15-8-6(10)2-5(9(13)14)3-7(8)11/h2-3H,1H3,(H,13,14)
InChIKey JVPBGCMTWXCGAZ-UHFFFAOYSA-N
Mol Weight 431.95 g/mol
Molecular Formula C9H6I2O4
Exact Mass 431.835549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ECtQ7f5QtCG
Name 4-Acetoxy-3,5-diiodo-benzoic acid
CAS Registry Number 41072-98-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6I2O4
InChI InChI=1S/C9H6I2O4/c1-4(12)15-8-6(10)2-5(9(13)14)3-7(8)11/h2-3H,1H3,(H,13,14)
InChIKey JVPBGCMTWXCGAZ-UHFFFAOYSA-N
Molecular Weight 431.952 g/mol
SMILES OC(c1cc(c(c(c1)I)OC(=O)C)I)=O
SPLASH splash10-000i-0009100000-c790692541e600530303
Source of Spectrum W5-34962-30574-30574
Synonyms 4-Acetyloxy-3,5-bis(iodanyl)benzoic acid
Wiley ID 1382047