2-異丙基苯酚(88-69-7)質(zhì)譜(MS)

產(chǎn)品名稱:2-異丙基苯酚

CAS:88-69-7

分子式:C9H12O

分子量: 136.19

InChI:InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3

InChIKey: CRBJBYGJVIBWIY-UHFFFAOYSA-N

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

Mass

MS-NW-5377          
o-isopropylphenol
C9H12O              (Mass of molecular ion:    136)

   Source Temperature: 250 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       3.3
      28.0       1.3
      38.0       1.3
      39.0       7.7
      40.0       1.0
      41.0       3.4
      50.0       1.8
      51.0       5.2
      52.0       1.4
      53.0       1.8
      55.0       1.3
      60.5       1.6
      62.0       1.0
      63.0       2.9
      65.0       5.1
      66.0       1.4
      67.0       1.2
      75.0       1.1
      77.0      16.2
      78.0       2.3
      79.0       1.3
      89.0       1.1
      91.0      11.8
      92.0       1.7
      93.0       5.6
      94.0       1.7
      95.0       1.0
     102.0       1.7
     103.0      21.1
     104.0       2.1
     107.0       2.8
     115.0       2.1
     119.0       1.1
     120.0       1.6
     121.0     100.0
     122.0       9.0
     136.0      36.4
     137.0       3.9

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₂ O	10.9 mg : 0.5 ml CDCl₃
o-isopropylphenol

    Assign.     Shift(ppm)

      A             7.206
      B             7.068
      C             6.918
      D             6.741
      E             4.76
      F             3.211
      G             1.258

     Hz     ppm     Int.

   2884.89   7.219     44
   2883.30   7.215     46
   2877.32   7.200     50
   2875.61   7.196     52
   2833.62   7.091     32
   2831.91   7.086     31
   2826.17   7.072     51
   2824.58   7.068     48
   2818.36   7.053     47
   2816.65   7.048     43
   2772.58   6.938     37
   2772.22   6.937     38
   2771.36   6.935     40
   2764.89   6.919     59
   2763.67   6.916     58
   2698.24   6.752     70
   2697.14   6.749     66
   2690.31   6.732     62
   2689.21   6.729     58
   1290.53   3.230     34
   1283.69   3.213     47
   1276.86   3.195     36
    506.10   1.267    998
    503.91   1.261     42
    499.27   1.250   1000
    497.07   1.244     41

¹H NMR	89.56 MHz
C₉ H₁₂ O	0.04 ml : 0.5 ml CDCl₃
o-isopropylphenol

    Assign.     Shift(ppm)

      A             7.19
      B             7.04
      C             6.92
      D             6.71
      E             4.70
      F             3.20
      G             1.249

     Hz     ppm     Int.

    649.44   7.252     40
    647.75   7.233     34
    647.19   7.227     44
    642.56   7.175     62
    640.13   7.148     90
    638.81   7.133     31
    633.50   7.074     82
    631.31   7.050     62
    626.31   6.994    119
    624.94   6.978     72
    623.88   6.967     88
    622.94   6.956     96
    617.56   6.896     53
    616.06   6.879     55
    604.94   6.755     95
    603.00   6.733    103
    597.88   6.676     45
    597.13   6.668     44
    595.81   6.653     48
    420.63   4.697     63
    294.19   3.285     36
    287.31   3.209     51
    280.50   3.132     42
    115.13   1.286   1000
    112.94   1.262     60
    111.25   1.243     51
    110.38   1.233     49
    108.25   1.209    901

in CDCl3