2,4,6-Trimethylphenol(527-60-6) MS
Product Name2,4,6-Trimethylphenol
CAS527-60-6
Molecular FormulaC9H12O
Molecular Weight136.19
InChIInChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3
InChIKey BPRYUXCVCCNUFE-UHFFFAOYSA-N
SmilesC1(O)=C(C)C=C(C)C=C1C
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MassMS-NW-8716 2,4,6-trimethylphenol C9H12O (Mass of molecular ion: 136)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 2.8 29.0 1.3 39.0 6.7 40.0 1.2 41.0 4.4 43.0 2.8 50.0 1.1 51.0 4.0 52.0 1.6 53.0 2.8 55.0 1.4 57.5 1.0 63.0 1.9 65.0 5.1 66.0 2.2 67.0 4.8 68.0 1.7 77.0 9.5 78.0 2.0 79.0 5.2 91.0 16.0 92.0 2.3 93.0 7.4 94.0 1.1 103.0 3.6 105.0 2.3 107.0 3.3 108.0 1.7 115.0 2.3 117.0 5.0 118.0 1.8 119.0 2.1 121.0 85.5 122.0 7.9 135.0 31.1 136.0 100.0 137.0 9.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H12 O 0.039 g : 0.5 ml CDCl3 2,4,6-trimethylphenol 
Assign. Shift(ppm)
A 6.77 B 4.42 C 2.19
Hz ppm Int.606.25 6.770 178 605.75 6.764 174 396.25 4.425 222 196.31 2.192 1000
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
OXIDATION WITH CERIC SULPHATE IN H2SO4
