4-(2-Butyl)phenol(99-71-8) MS
Product Name4-(2-Butyl)phenol
CAS99-71-8
Molecular FormulaC10H14O
Molecular Weight150.22
InChIInChI=1S/C10H14O/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8,11H,3H2,1-2H3
InChIKey ZUTYZAFDFLLILI-UHFFFAOYSA-N
SmilesC1(O)=CC=C(C(C)CC)C=C1
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MassMS-NW-1821 p-sec-butylphenol C10H14O (Mass of molecular ion: 150)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 3.0 29.0 1.8 39.0 5.3 41.0 2.9 51.0 2.9 53.0 1.6 55.0 1.9 63.0 2.0 65.0 5.0 66.0 1.2 77.0 12.7 78.0 1.9 79.0 1.3 91.0 9.6 92.0 1.5 93.0 4.3 94.0 1.6 95.0 1.1 103.0 8.6 107.0 11.0 119.0 1.7 120.0 3.0 121.0 100.0 122.0 8.9 135.0 3.9 150.0 17.5 151.0 1.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H14 O 0.041 g : 0.5 ml CDCl3 p-sec-butylphenol 
Assign. Shift(ppm)
A 7.026 B 6.763 C 4.93 D 2.51 E 1.54 F 1.195 G 0.81 J(F,D)=6.9HZ.
Hz ppm Int.635.00 7.091 222 634.63 7.087 227 632.75 7.066 86 628.56 7.019 106 628.19 7.015 100 626.25 6.993 466 623.69 6.964 67 611.25 6.826 76 608.63 6.796 570 606.38 6.771 134 602.19 6.724 97 599.94 6.699 293 444.38 4.962 32 443.63 4.954 36 442.19 4.938 43 441.81 4.934 44 441.44 4.929 44 440.75 4.922 44 440.38 4.918 43 439.75 4.911 42 237.25 2.650 38 230.19 2.571 82 223.19 2.493 92 216.25 2.415 55 153.50 1.714 35 152.63 1.705 33 146.81 1.640 68 145.44 1.624 180 138.31 1.545 188 137.81 1.539 200 131.88 1.473 103 130.94 1.463 220 124.50 1.391 58 123.88 1.384 54 110.19 1.231 1000 108.19 1.209 39 103.31 1.154 847 101.25 1.131 34 78.69 0.879 322 71.94 0.804 565 71.19 0.795 378 64.19 0.717 189 63.25 0.707 106
in CDCl3
CCl4 solution
KBr disc
liquid film
nujol mull
