2-Chloro-1,3-dimethylbenzene(6781-98-2) MS
Product Name2-Chloro-1,3-dimethylbenzene
CAS6781-98-2
Molecular FormulaC8H9Cl
Molecular Weight140.61
InChIInChI=1S/C8H9Cl/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3
InChIKey VDXLAYAQGYCQEO-UHFFFAOYSA-N
SmilesC1(C)=CC=CC(C)=C1Cl
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MassMS-NW-9931 2-chloro-m-xylene C8H9Cl (Mass of molecular ion: 140)
Source Temperature: 180 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 2.0 38.0 1.1 39.0 4.6 50.0 3.1 51.0 11.9 52.0 2.3 53.0 1.5 62.0 1.8 63.0 4.3 65.0 1.4 69.0 1.7 73.0 1.1 74.0 1.4 75.0 2.1 76.0 1.2 77.0 14.0 78.0 8.0 79.0 8.0 89.0 2.1 91.0 1.0 102.0 2.4 103.0 14.9 104.0 6.3 105.0 100.0 106.0 9.0 125.0 6.0 127.0 1.9 139.0 5.2 140.0 44.2 141.0 5.5 142.0 14.2 143.0 1.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H9 Cl 0.05 ml : 0.5 ml CDCl3 2-chloro-m-xylene 
Assign. Shift(ppm)
A 7.006 B 2.344
Hz ppm Int.627.56 7.008 250 209.69 2.342 1000
in CDCl3
liquid film
