2,3-dimethylphenol(526-75-0) Raman
Product Name2,3-dimethylphenol
CAS526-75-0
Molecular FormulaC8H10O
Molecular Weight122.16
InChIInChI=1S/C8H10O/c1-6-4-3-5-8(9)7(6)2/h3-5,9H,1-2H3
InChIKey QWBBPBRQALCEIZ-UHFFFAOYSA-N
SmilesC1(O)=CC=CC(C)=C1C
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MassMS-NW-1694 2,3-xylenol C8H10O (Mass of molecular ion: 122)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
26.0 1.0 27.0 6.0 28.0 1.5 37.0 1.0 38.0 3.0 39.0 15.5 40.0 2.2 41.0 4.8 43.0 2.9 50.0 5.4 51.0 11.8 52.0 4.7 53.0 6.6 55.0 2.7 60.0 1.9 61.0 1.7 62.0 2.7 63.0 6.2 64.0 1.5 65.0 8.4 66.0 2.3 67.0 1.6 74.0 1.7 75.0 1.4 76.0 1.0 77.0 31.2 78.0 11.7 79.0 21.2 80.0 2.1 81.0 1.0 89.0 1.4 91.0 19.4 92.0 2.9 93.0 5.5 94.0 4.1 102.0 1.2 103.0 8.0 104.0 5.8 105.0 3.2 107.0 100.0 108.0 7.7 120.0 1.1 121.0 29.8 122.0 88.8 123.0 7.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H10 O 14.5 mg : 0.5 ml CDCl3 2,3-xylenol 
Assign. Shift(ppm)
A 6.959 B 6.756 C 6.624 D 4.76 E *1 2.269 F *1 2.159
Hz ppm Int.2789.79 6.981 73 2782.10 6.962 160 2774.17 6.942 98 2703.61 6.765 129 2696.04 6.747 107 2651.37 6.635 129 2650.88 6.634 128 2643.31 6.615 115 2642.94 6.614 115 906.86 2.270 970 862.92 2.160 1000
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
