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1-Iodo-3,5-dimethylbenzene
SpectraBase Compound ID Ghgakq6leBD
InChI InChI=1S/C8H9I/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3
InChIKey ZLMKEENUYIUKKC-UHFFFAOYSA-N
Mol Weight 232.06 g/mol
Molecular Formula C8H9I
Exact Mass 231.974895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID InNUutCq06p
Name Benzene, 1-iodo-3,5-dimethyl-
CAS Registry Number 22445-41-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9I
InChI InChI=1S/C8H9I/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3
InChIKey ZLMKEENUYIUKKC-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol303164h
Molecular Weight 232.064 g/mol
SMILES c1(cc(cc(c1)I)C)C
SPLASH splash10-001i-1290000000-26ef7eafa2f5cd8a8e2a
Source of Spectrum A1-15-140/SMS4-3b
Synonyms 1-Iodo-3,5-bismethylbenzene 1-Iodo-3,5-dimethylbenzene 1-Iodanyl-3,5-dimethyl-benzene
Wiley ID 1750928