2,3,5,6-TETRAMETHYL PHENOL(527-35-5) IR2
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
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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
parameter in CDCl3
90 MHz in CDCl3
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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
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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
in CDCl3
CCl4 solution
KBr disc
nujol mull
