96-70-8

2-叔丁基-4-乙基苯酚(96-70-8)質(zhì)譜(MS)

產(chǎn)品名稱:2-叔丁基-4-乙基苯酚

CAS:96-70-8

分子式:C12H18O

分子量: 178.27

InChI:InChI=1S/C12H18O/c1-5-9-6-7-11(13)10(8-9)12(2,3)4/h6-8,13H,5H2,1-4H3

InChIKey: LZHCVNIARUXHAL-UHFFFAOYSA-N

Smiles:C1(O)=CC=C(CC)C=C1C(C)(C)C

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-8993          
2-tert-butyl-4-ethylphenol
C12H18O             (Mass of molecular ion:    178)

   Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       3.5
      28.0       1.2
      29.0       3.8
      39.0       6.6
      40.0       1.0
      41.0      10.8
      43.0       1.3
      50.0       1.1
      51.0       4.0
      52.0       1.6
      53.0       2.9
      55.0       3.3
      56.0       2.2
      57.0       1.9
      60.0       1.7
      63.0       1.7
      64.0       1.1
      65.0       3.3
      66.0       1.6
      67.0       1.2
      73.0       2.2
      74.0       2.2
      77.0       7.7
      78.0       1.9
      79.0       2.9
      91.0       8.9
      92.0       1.0
      93.0       1.0
      95.0       1.7
     103.0       2.2
     105.0       3.1
     107.0      20.6
     108.0       1.6
     115.0       6.1
     116.0       2.4
     117.0       6.9
     119.0       2.3
     121.0       4.3
     122.0       4.8
     123.0       2.0
     128.0       2.2
     129.0       1.8
     131.0       1.1
     133.0       1.9
     135.0      34.2
     136.0       3.5
     147.0       4.9
     149.0       1.7
     163.0     100.0
     164.0      12.2
     178.0      26.4
     179.0       3.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₁₈ O	0.05 ml : 0.5 ml CDCl₃
2-tert-butyl-4-ethylphenol

    Assign.     Shift(ppm)

      A             7.085
      B             6.876
      C             6.516
      D             4.66
      E             2.560
      F             1.401
      G             1.196

     Hz     ppm     Int.

   2832.89   7.089     93
   2830.81   7.084     97
   2753.30   6.890     59
   2751.10   6.884     56
   2745.36   6.870     65
   2743.16   6.864     62
   2608.03   6.526    141
   2599.98   6.506    127
   1863.65   4.664    214
   1034.79   2.590     49
   1027.22   2.571    140
   1019.65   2.552    143
   1011.96   2.533     54
    560.06   1.402   1000
    485.84   1.216    258
    483.40   1.210     20
    478.27   1.197    456
    475.83   1.191     34
    475.10   1.189     27
    470.58   1.178    255

in CDCl3