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(3-iodophenyl)acetic acid
SpectraBase Compound ID AHeGSUjbbY9
InChI InChI=1S/C8H7IO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey MRSWWBAFGGGWRH-UHFFFAOYSA-N
Mol Weight 262.05 g/mol
Molecular Formula C8H7IO2
Exact Mass 261.949074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11iXtXExwIS
Name (3-iodophenyl)acetic acid
Comments Less than 3 mono-isotopic peaks
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Formula C8H7IO2
InChI InChI=1S/C8H7IO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey MRSWWBAFGGGWRH-UHFFFAOYSA-N
Molecular Weight 262.046 g/mol
SMILES OC(=O)Cc1cc(I)ccc1
SPLASH splash10-03di-0090000000-dc825e5184aefec1f47d
Source of Spectrum D8-325-309-5
Synonyms 2-(3-iodanylphenyl)ethanoic acid 2-(3-iodophenyl)acetic acid
Wiley ID 1514419