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alpha-Chloro-o-xylene
SpectraBase Compound ID J618369rypP
InChI InChI=1S/C8H9Cl/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3
InChIKey VQRBXYBBGHOGFT-UHFFFAOYSA-N
Mol Weight 140.61 g/mol
Molecular Formula C8H9Cl
Exact Mass 140.039278 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AS85Co8Ge76
Name Benzene, 1-(chloromethyl)-2-methyl-
CAS Registry Number 552-45-4
Comments Less than 3 mono-isotopic peaks
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Formula C8H9Cl
InChI InChI=1S/C8H9Cl/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3
InChIKey VQRBXYBBGHOGFT-UHFFFAOYSA-N
Molecular Weight 140.613 g/mol
SMILES c1c(c(ccc1)CCl)C
SPLASH splash10-0006-9200000000-efa1332df63fe1ea27e4
Source of Spectrum J-61-1699-0
Synonyms .alpha.-Chloro-o-xylene .alpha.-Chloro-ortho-xylene .omega.-Chloro-o-xylene 1-(chloromethyl)-2-methyl-benzene 2-(Chloromethyl)toluene 2-Methylbenzyl chloride o-Methylbenzyl chloride o-Xylene, .alpha.-chloro- o-Xylyl chloride o-Xylyl-.alpha.-chloride Omega-chloro-O-xylene EINECS 209-013-8 HSDB 2681
Wiley ID 1139206