苯戊醇(10521-91-2)核磁圖(¹³CNMR)

產(chǎn)品名稱:苯戊醇

CAS:10521-91-2

分子式:C11H16O

分子量: 164.24

InChI:InChI=1S/C11H16O/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2

InChIKey: DPZMVZIQRMVBBW-UHFFFAOYSA-N

Smiles:C1(CCCCCO)=CC=CC=C1

Mass

MS-NW-5589          
5-phenyl-1-pentanol
C11H16O             (Mass of molecular ion:    164)

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

      27.0       4.5
      28.0       1.4
      29.0       2.8
      31.0       8.6
      39.0       6.9
      41.0       5.2
      43.0       4.8
      50.0       1.6
      51.0       5.2
      52.0       1.5
      53.0       1.3
      55.0       9.0
      57.0       1.2
      63.0       2.6
      65.0      12.5
      67.0       1.3
      68.0       4.7
      73.0       1.1
      77.0       7.2
      78.0       6.6
      79.0       5.4
      89.0       2.1
      90.0       1.1
      91.0     100.0
      92.0      28.9
      93.0       2.4
     103.0       4.0
     104.0      73.6
     105.0      18.7
     106.0       1.5
     115.0       3.0
     116.0       1.0
     117.0      47.9
     118.0      13.6
     119.0       1.4
     131.0       6.1
     145.0       2.4
     146.0      43.2
     147.0       5.4
     164.0       4.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₁₆ O	0.04 ml : 0.5 ml CDCl₃
5-phenyl-1-pentanol

    Assign.     Shift(ppm)

      A          7.45 to 6.98
      B             3.62
      C             2.61
      D          1.88 to 1.17
      E             1.40

     Hz     ppm     Int.

    651.31   7.273    119
    648.31   7.239    201
    646.31   7.217    541
    644.56   7.197    546
    641.75   7.166     70
    641.19   7.160     91
    640.69   7.154     81
    639.25   7.138     55
    638.56   7.130     65
    637.88   7.123     49
    637.06   7.114     63
    330.63   3.692     86
    324.31   3.622    327
    318.06   3.552    154
    242.19   2.705     63
    235.25   2.627    134
    227.44   2.540    124
    156.19   1.744     66
    154.44   1.725     52
    149.56   1.670    106
    148.69   1.661     95
    147.13   1.643     79
    146.69   1.638     78
    145.69   1.627     71
    143.13   1.599    135
    141.88   1.585    119
    141.44   1.580    119
    140.69   1.571    126
    139.56   1.559    104
    136.44   1.524    164
    134.63   1.504    157
    133.13   1.487    161
    132.06   1.475    125
    130.94   1.463     93
    129.13   1.442     80
    128.06   1.430     71
    125.75   1.405   1000
    123.25   1.377     49
    122.88   1.373     50

in CDCl3