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
Mass
MS-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
1H NMR | 89.56 MHz |
C9 H12 O | 0.039 g : 0.5 ml CDCl3 |
2,4,6-trimethylphenol |
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Assign. Shift(ppm) |
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
2,4,6-Trimethylphenol(527-60-6) MS Atlas of Related Products
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