Product Name2-tert-Butyl-6-methylphenol
CAS2219-82-1
Molecular FormulaC11H16O
Molecular Weight164.24
InChIInChI=1S/C11H16O/c1-8-6-5-7-9(10(8)12)11(2,3)4/h5-7,12H,1-4H3
InChIKey BKZXZGWHTRCFPX-UHFFFAOYSA-N
SmilesC1(O)=C(C)C=CC=C1C(C)(C)C
Mass
MS-NW-1621 2-tert-butyl-6-methylphenol C11H16O (Mass of molecular ion: 164)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 3.7 29.0 2.2 39.0 6.0 41.0 8.0 43.0 1.0 50.0 1.1 51.0 4.3 52.0 1.5 53.0 3.9 55.0 1.4 63.0 1.8 65.0 3.2 66.0 1.2 74.5 1.5 77.0 7.5 78.0 2.3 79.0 3.3 89.0 1.1 91.0 13.9 92.0 1.5 93.0 1.1 103.0 2.2 105.0 5.9 107.0 3.2 108.0 1.8 109.0 5.0 115.0 6.8 116.0 7.6 117.0 1.4 119.0 1.1 121.0 44.3 122.0 4.1 123.0 1.0 128.0 1.8 129.0 3.2 131.0 2.7 133.0 2.0 134.0 1.1 149.0 100.0 150.0 11.1 164.0 38.6 165.0 4.9
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C11 H16 O | 0.04 ml : 0.5 ml CDCl3 |
2-tert-butyl-6-methylphenol |
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Assign. Shift(ppm) |
Hz ppm Int.
635.19 7.093 22 623.44 6.962 26 622.81 6.955 27 613.13 6.847 41 605.63 6.763 39 422.31 4.716 50 199.31 2.226 198 128.38 1.434 29 126.56 1.414 1000
in CDCl3
CCl4 solution
KBr disc
liquid film
nujol mull
2-tert-Butyl-6-methylphenol(2219-82-1) 13C NMR Atlas of Related Products
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