2,3,5,6-TETRAMETHYL PHENOL(527-35-5) MS
Product Name2,3,5,6-TETRAMETHYL PHENOL
CAS527-35-5
Molecular FormulaC10H14O
Molecular Weight150.22
InChIInChI=1S/C10H14O/c1-6-5-7(2)9(4)10(11)8(6)3/h5,11H,1-4H3
InChIKey KLAQSPUVCDBEGF-UHFFFAOYSA-N
SmilesC1(O)=C(C)C(C)=CC(C)=C1C
-
MassMS-NW-2356 2,3,5,6-tetramethylphenol C10H14O (Mass of molecular ion: 150)
Source Temperature: 270 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 1.6 27.0 4.1 29.0 1.7 39.0 6.2 40.0 1.0 41.0 5.4 43.0 4.3 50.0 1.3 51.0 3.9 52.0 1.5 53.0 3.7 55.0 1.7 63.0 1.9 64.0 1.2 65.0 4.0 66.0 1.3 67.0 2.6 74.0 1.4 75.0 1.4 77.0 6.8 78.0 1.8 79.0 7.0 91.0 15.3 92.0 2.0 93.0 3.5 103.0 1.9 105.0 8.8 106.0 2.2 107.0 9.0 108.0 1.7 115.0 3.4 116.0 1.7 117.0 8.0 118.0 1.0 119.0 1.7 121.0 3.0 122.0 2.0 131.0 2.1 133.0 2.5 135.0 100.0 136.0 10.3 149.0 19.5 150.0 85.9 151.0 9.6 164.0 3.3
90 MHz in CDCl3
parameter in CDCl3
-
1H NMR 89.56 MHz C10 H14 O 0.047 g : 0.5 ml CDCl3 2,3,5,6-tetramethylphenol 
Assign. Shift(ppm)
A 6.582 B 4.63 C 2.198 D 2.117
Hz ppm Int.589.50 6.583 125 414.31 4.627 81 196.88 2.199 945 189.63 2.118 1000 184.50 2.061 35
-
1H NMR 300 MHz C10 H14 O 0.047 g : 0.5 ml CDCl3 2,3,5,6-tetramethylphenol Parameter ppm Hz
D(A) 6.582 D(B) 4.63 D(C) 2.198 D(D) 2.117
Hz ppm Int.1974.60 6.582 123 1387.79 4.626 105 659.40 2.198 793 635.13 2.117 1000
in CDCl3
CCl4 solution
KBr disc
nujol mull
