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5-Iodo-2-methylbenzoic acid
SpectraBase Compound ID HqwRU6lM54z
InChI InChI=1S/C8H7IO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey WUBHOZQZSHGUFI-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 4LE24HwsL9K
Name 5-Iodo-2-methylbenzoic acid
Alternate Name(s) 5-iodanyl-2-methyl-benzoic acid Benzoic acid, 3-iodo-6-methyl-
CAS Registry Number 54811-38-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7IO2
InChI InChI=1S/C8H7IO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey WUBHOZQZSHGUFI-UHFFFAOYSA-N
Molecular Weight 262.046 g/mol
SMILES OC(c1c(ccc(c1)I)C)=O
SPLASH splash10-03di-6190000000-da8ac7a244c4a0336921
Source of Spectrum AD-0-2532-0
Wiley ID 1430185