o-Xylene(95-47-6) MS
Molecular FormulaC8H10
Molecular Weight106.17
InChIInChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
InChIKey CTQNGGLPUBDAKN-UHFFFAOYSA-N
SmilesC1(C)=CC=CC=C1C
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MassMS-NW-0046 o-xylene C8H10 (Mass of molecular ion: 106)
Source Temperature: 230 °C Sample Temperature: 55 °C Reservoir, 75 eV
27.0 2.9 38.0 1.1 39.0 7.6 41.0 1.9 43.0 1.3 50.0 3.6 51.0 8.2 52.0 3.5 53.0 2.2 62.0 1.6 63.0 4.6 65.0 6.4 74.0 1.4 75.0 1.0 77.0 10.9 78.0 5.7 79.0 6.5 89.0 1.9 91.0 100.0 92.0 8.0 102.0 1.3 103.0 5.8 104.0 2.9 105.0 26.4 106.0 63.3 107.0 5.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H10 0.05 ml : 0.5 ml CDCl3 o-xylene 
Assign. Shift(ppm)
A 7.07 B 2.220
Hz ppm Int.
2839.60 7.106 50 2835.33 7.095 94 2830.08 7.082 199 2825.93 7.072 262 2823.49 7.065 97 2820.92 7.059 105 2816.89 7.049 73 887.33 2.221 1000 879.39 2.201 36
in CDCl3
liquid film
4880 A,200 M,liquid
