2344-70-9

4-苯基-2-丁醇(2344-70-9)紅外圖譜(IR1)

產(chǎn)品名稱:4-苯基-2-丁醇

CAS:2344-70-9

分子式:C10H14O

分子量: 150.22

InChI:InChI=1S/C10H14O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3

InChIKey: GDWRKZLROIFUML-UHFFFAOYSA-N

Smiles:C(C1C=CC=CC=1)CC(O)C

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-5683          
4-phenyl-2-butanol
C10H14O             (Mass of molecular ion:    150)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       1.1
      19.0       1.0
      27.0       5.5
      28.0       1.5
      29.0       1.7
      31.0       1.9
      38.0       1.0
      39.0       8.3
      41.0       2.9
      43.0       7.5
      45.0      33.3
      50.0       3.4
      51.0       9.9
      52.0       2.8
      53.0       1.9
      54.0       2.4
      55.0       1.0
      57.0       1.6
      58.0       1.1
      59.0       2.6
      62.0       1.3
      63.0       4.3
      64.0       1.4
      65.0      13.4
      66.0       1.0
      72.0       1.0
      74.0       1.2
      75.0       1.2
      76.0       1.0
      77.0      13.4
      78.0      26.1
      79.0       9.8
      89.0       3.2
      90.0       1.5
      91.0      96.3
      92.0      48.0
      93.0       4.0
     102.0       1.2
     103.0       6.6
     104.0       6.3
     105.0      14.1
     106.0       3.7
     107.0       1.1
     115.0       5.8
     116.0       2.2
     117.0     100.0
     118.0      10.5
     129.0       1.0
     131.0       9.7
     132.0      67.3
     133.0       8.0
     135.0       1.0
     148.0       1.0
     150.0       8.6
     151.0       1.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₄ O	0.05 ml : 0.5 ml CDCl₃
4-phenyl-2-butanol

    Assign.     Shift(ppm)

      A             7.248
      B             7.17
      C             7.15
      D             3.772
      E     *1      2.717
      F     *1      2.635
      G             2.39
      J     *2      1.752
      K     *2      1.715
      L             1.187
     
     J(E,K)=9.7HZ
     J(E,F)=-13.8HZ
     J(E,J)=6.1HZ
     J(F,K)=6.8HZ
     J(F,J)=9.4HZ
     J(J.K)=-13.6HZ
     J(J,D)=7.5HZ
     J(K,D)=5.1HZ

     Hz     ppm     Int.

   2905.76   7.271    104
   2904.91   7.269    156
   2903.32   7.265     84
   2898.32   7.253    255
   2897.46   7.250    314
   2892.21   7.237    127
   2890.26   7.232    325
   2885.86   7.221     31
   2876.71   7.199     30
   2869.63   7.181    416
   2866.94   7.174    205
   2865.72   7.171    199
   2862.67   7.163    260
   2862.18   7.162    254
   2858.52   7.153    215
   2856.45   7.148     78
   2852.66   7.138     61
   2851.32   7.135     85
   2850.10   7.132     53
   1515.38   3.792     37
   1510.38   3.780     63
   1504.27   3.764     64
   1499.76   3.753     37
   1499.15   3.752     37
   1103.15   2.761     40
   1097.05   2.746     46
   1093.51   2.737     46
   1089.36   2.726     87
   1087.52   2.722     58
   1083.37   2.711     87
   1079.71   2.702     93
   1073.61   2.687     89
   1066.16   2.668     85
   1059.33   2.651     98
   1056.64   2.644     90
   1052.37   2.634     51
   1049.93   2.628     93
   1045.53   2.617     48
   1042.97   2.610     47
   1036.13   2.593     44
    954.59   2.389    143
    716.92   1.794     36
    715.58   1.791     31
    713.50   1.786     31
    709.47   1.776    110
    707.40   1.771     41
    706.30   1.768     35
    703.37   1.760     93
    702.03   1.757    103
    699.95   1.752    124
    698.49   1.748    103
    695.92   1.742     98
    693.60   1.736    153
    692.63   1.734    138
    691.77   1.731    124
    688.72   1.724     93
    686.52   1.718    173
    684.94   1.714     59
    683.59   1.711     94
    682.01   1.707     89
    679.81   1.702     39
    677.98   1.697     41
    676.88   1.694     86
    675.17   1.690     40
    670.04   1.677     31
    481.45   1.205     57
    477.54   1.195    967
    474.49   1.188     83
    471.31   1.180   1000
    467.65   1.171     46

in CDCl3