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Methyl 3-iodo-4-methyl-benzoate
SpectraBase Compound ID GdDXxtbJ7bA
InChI InChI=1S/C9H9IO2/c1-6-3-4-7(5-8(6)10)9(11)12-2/h3-5H,1-2H3
InChIKey NKMHAOTZPFVSPC-UHFFFAOYSA-N
Mol Weight 276.07 g/mol
Molecular Formula C9H9IO2
Exact Mass 275.964725 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7W1dQ3Wa21D
Name Methyl 3-iodo-4-methylbenzoate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9IO2
InChI InChI=1S/C9H9IO2/c1-6-3-4-7(5-8(6)10)9(11)12-2/h3-5H,1-2H3
InChIKey NKMHAOTZPFVSPC-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.200900214
Molecular Weight 276.073 g/mol
SMILES C(c1cc(c(cc1)C)I)(=O)OC
SPLASH splash10-002f-2090000000-529d5fac95345f8b2a45
Source of Spectrum CMC-4-1630/SM10-21e
Synonyms 3-Iodo-4-methyl-benzoic acid methyl ester Methyl 3-iodanyl-4-methyl-benzoate 3-Iodo-4-methylbenzoic acid methyl ester Methyl 3-iodo-4-methyl-benzoate
Wiley ID 1771526