2-tert-Butyl-4-methylphenol(2409-55-4) 13C NMR
Product Name2-tert-Butyl-4-methylphenol
CAS2409-55-4
Molecular FormulaC11H16O
Molecular Weight164.24
InChIInChI=1S/C11H16O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h5-7,12H,1-4H3
InChIKey IKEHOXWJQXIQAG-UHFFFAOYSA-N
SmilesC1(O)=CC=C(C)C=C1C(C)(C)C
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MassMS-NW-6144 2-tert-butyl-p-cresol C11H16O (Mass of molecular ion: 164)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 3.6 29.0 2.1 39.0 5.5 41.0 8.4 43.0 1.0 50.0 1.2 51.0 4.2 52.0 1.8 53.0 3.7 55.0 1.8 63.0 1.9 64.0 1.2 65.0 2.9 66.0 1.4 67.0 1.0 72.5 1.0 73.5 1.3 74.5 1.6 77.0 7.6 78.0 2.0 79.0 3.3 89.0 1.1 91.0 11.5 92.0 1.3 93.0 1.4 103.0 2.1 105.0 5.6 107.0 4.9 108.0 2.5 109.0 6.1 115.0 6.2 116.0 6.4 117.0 1.1 119.0 1.1 121.0 47.0 122.0 4.5 128.0 1.8 129.0 2.7 131.0 1.9 133.0 2.3 147.0 1.1 148.0 1.2 149.0 100.0 150.0 11.0 164.0 42.1 165.0 5.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C11 H16 O 0.040 g : 0.5 ml CDCl3 2-tert-butyl-p-cresol 
Assign. Shift(ppm)
A 7.058 B 6.851 C 6.540 D 4.54 E 2.262 F 1.396
Hz ppm Int.631.13 7.048 22 588.63 6.573 43 580.69 6.484 25 406.94 4.544 55 202.75 2.264 155 126.94 1.418 21 125.06 1.397 1000
in CDCl3
liquid film
