4-SEC-BUTYL-2,6-DI-TERT-BUTYLPHENOL(17540-75-9) 1H NMR
Product Name4-SEC-BUTYL-2,6-DI-TERT-BUTYLPHENOL
CAS17540-75-9
Molecular FormulaC18H30O
Molecular Weight262.43
InChIInChI=1S/C18H30O/c1-9-12(2)13-10-14(17(3,4)5)16(19)15(11-13)18(6,7)8/h10-12,19H,9H2,1-8H3
InChIKey BFZOTKYPSZSDEV-UHFFFAOYSA-N
SmilesC1(O)=C(C(C)(C)C)C=C(C(C)CC)C=C1C(C)(C)C
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MassMS2014-05076CW 4-sec-butyl-2,6-di-tert-butylphenol C18H30O (Mass of molecular ion: 262)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
29.0 2.4 39.0 1.4 41.0 4.8 55.0 1.7 56.0 1.4 57.0 8.6 77.0 1.0 87.0 2.2 91.0 2.3 101.0 1.1 105.0 1.5 115.0 1.6 117.0 1.4 119.0 1.0 121.0 1.3 128.0 2.6 129.0 1.6 131.0 2.2 133.0 1.5 141.0 1.0 143.0 1.0 145.0 1.3 147.0 1.2 157.0 1.0 159.0 1.0 161.0 2.1 163.0 1.0 175.0 2.1 177.0 4.3 187.0 1.9 191.0 1.7 203.0 3.4 205.0 1.1 206.0 1.0 217.0 5.1 218.0 1.2 219.0 2.5 231.0 1.3 233.0 100.0 234.0 25.2 235.0 2.4 247.0 31.9 248.0 5.8 262.0 17.8 263.0 5.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C18 H30 O 0.05 ml : 0.5 ml CDCl3 4-sec-butyl-2,6-di-tert-butylphenol 
Assign. Shift(ppm)
A 6.972 B 5.00 C 2.505 D 1.59 to 1.48 E 1.440 F 1.213 G 0.851
Hz ppm Int.2786.38 6.973 209 1998.54 5.001 128 998.54 2.499 31 626.34 1.568 37 619.38 1.550 38 612.79 1.534 41 580.44 1.453 78 575.68 1.441 1000 566.65 1.418 55 563.48 1.410 31 488.28 1.222 184 481.32 1.205 192 347.41 0.870 94 340.09 0.851 179 332.64 0.833 90
in CDCl3
liquid film
