氫化肉桂酰氯(645-45-4)核磁圖(¹³CNMR)

產(chǎn)品名稱:氫化肉桂酰氯

CAS:645-45-4

分子式:C9H9ClO

分子量: 168.62

InChI:InChI=1S/C9H9ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2

InChIKey: MFEILWXBDBCWKF-UHFFFAOYSA-N

Smiles:C1(CCC(Cl)=O)=CC=CC=C1

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-7791          
3-phenylpropionyl chloride
C9H9ClO             (Mass of molecular ion:    168)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      26.0       1.5
      27.0       8.1
      36.0       2.4
      37.0       1.2
      38.0       3.0
      39.0      12.6
      41.0       1.4
      42.0       1.5
      49.0       1.1
      50.0      10.8
      51.0      23.9
      51.5       1.1
      52.0       5.5
      52.5       1.2
      53.0       1.8
      55.0       2.6
      61.0       1.2
      62.0       3.4
      63.0       8.1
      64.0       1.8
      65.0      12.5
      66.0       1.1
      66.5       1.8
      74.0       3.7
      75.0       2.9
      76.0       3.3
      77.0      24.9
      78.0      18.7
      79.0      12.5
      89.0       4.3
      90.0       1.7
      91.0     100.0
      92.0       8.1
     102.0       3.3
     103.0      22.3
     104.0      86.5
     105.0      89.1
     106.0       7.6
     125.0       1.4
     131.0       8.7
     132.0      12.4
     133.0      17.3
     134.0       1.7
     168.0      26.2
     169.0       2.9
     170.0       9.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₉ Cl O	0.05 ml : 0.5 ml CDCl₃
3-phenylpropionyl chloride

    Assign.     Shift(ppm)

      A          7.38 to 7.08
      B             3.10
      C             2.97

     Hz     ppm     Int.

    663.25   7.406     39
    662.19   7.394     36
    661.44   7.386     30
    659.44   7.364     72
    657.44   7.341     67
    655.75   7.322    125
    655.31   7.317    116
    653.88   7.302    143
    651.31   7.273    305
    649.44   7.252    533
    647.38   7.229   1000
    646.56   7.220    876
    644.19   7.193    978
    640.63   7.154    339
    635.75   7.099    174
    632.94   7.068     98
    627.63   7.008     32
    627.13   7.003     31
    626.81   6.999     31
    291.75   3.258    114
    290.19   3.241     36
    288.19   3.218    188
    286.69   3.202    137
    284.75   3.180     78
    281.75   3.146    611
    280.94   3.137    451
    277.88   3.103    177
    276.63   3.089    594
    275.50   3.077    680
    270.63   3.022    524
    269.81   3.013    475
    264.63   2.955    424
    262.25   2.929     94
    259.56   2.899    133
    258.13   2.883    134
    254.56   2.843     93

in CDCl3