2,6-Dimethylphenol(576-26-1) IR1
Product Name2,6-Dimethylphenol
CAS576-26-1
Molecular FormulaC8H10O
Molecular Weight122.16
InChIInChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3
InChIKey NXXYKOUNUYWIHA-UHFFFAOYSA-N
SmilesC1(O)=C(C)C=CC=C1C
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MassMS-NW-1844 2,6-xylenol C8H10O (Mass of molecular ion: 122)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.2 26.0 2.2 27.0 16.4 29.0 1.7 37.0 1.9 38.0 5.2 39.0 27.3 40.0 3.9 41.0 9.1 43.0 7.1 45.0 2.1 46.0 1.1 50.0 8.5 51.0 19.6 52.0 7.9 53.0 11.9 54.0 1.2 55.0 3.0 60.0 2.8 61.0 2.3 62.0 4.2 63.0 10.0 64.0 2.2 65.0 13.7 66.0 3.3 67.0 1.6 74.0 2.0 75.0 1.6 76.0 1.4 77.0 41.9 78.0 20.1 79.0 29.4 80.0 2.6 89.0 2.3 91.0 28.1 92.0 4.0 93.0 7.0 94.0 5.0 102.0 1.7 103.0 12.1 104.0 10.8 105.0 5.1 107.0 92.3 108.0 8.1 121.0 33.4 122.0 100.0 123.0 8.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H10 O 0.05 g : 0.5 ml CDCl3 2,6-xylenol 
Assign. Shift(ppm)
A 6.93 B 6.744 C 4.66 D 2.198
Hz ppm Int.626.69 6.998 51 626.25 6.993 51 624.63 6.975 56 618.63 6.908 164 618.19 6.903 165 608.56 6.795 110 602.81 6.731 51 599.88 6.699 42 594.06 6.634 26 417.00 4.657 292 196.94 2.199 1000
in CDCl3
KBr disc
4880 A,200 M,powder
