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3-Iodobenzoic acid
SpectraBase Compound ID 2xpgDgC4ISh
InChI InChI=1S/C7H5IO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
InChIKey KVBWBCRPWVKFQT-UHFFFAOYSA-N
Mol Weight 248.02 g/mol
Molecular Formula C7H5IO2
Exact Mass 247.933424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AeEiujUFW4p
Name Benzoic acid, 3-iodo-
CAS Registry Number 618-51-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H5IO2
InChI InChI=1S/C7H5IO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
InChIKey KVBWBCRPWVKFQT-UHFFFAOYSA-N
Molecular Weight 248.019 g/mol
SMILES OC(=O)c1cc(I)ccc1
SPLASH splash10-0002-7290000000-2ca7b84dad50dc14d6f7
Source of Spectrum W5-22579-0-0
Synonyms 3-iodanylbenzoic acid 3-Iodobenzoic acid Benzoic acid, m-iodo- m-Iodobenzoic acid EINECS 210-555-2 NSC 74693
Wiley ID 1250357