4-(2-Butyl)phenol(99-71-8) IR1

Product Name4-(2-Butyl)phenol

CAS 99-71-8

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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Mass

MS-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

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