苯氧乙酸(122-59-8)核磁圖(¹HNMR)

產(chǎn)品名稱:苯氧乙酸

CAS:122-59-8

分子式:C8H8O3

分子量: 152.15

InChI:InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)

InChIKey: LCPDWSOZIOUXRV-UHFFFAOYSA-N

Smiles:C(O)(=O)COC1=CC=CC=C1

Mass

MS-NW-4865          
phenoxyacetic acid
C8H8O3              (Mass of molecular ion:    152)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      14.0       1.1
      27.0       1.9
      28.0       3.0
      29.0       1.7
      31.0       3.1
      38.0       2.4
      39.0      13.2
      40.0       1.3
      42.0       1.6
      45.0       1.4
      50.0       3.9
      51.0      17.3
      52.0       1.9
      63.0       2.6
      64.0       1.8
      65.0      18.0
      66.0       4.2
      76.0       1.5
      77.0      92.6
      78.0      11.0
      79.0      24.8
      80.0       1.6
      93.0       2.2
      94.0      23.6
      95.0       1.8
     107.0     100.0
     108.0       7.6
     152.0      90.3
     153.0       8.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₈ O₃	0.043 g : 0.5 ml CDCl₃
phenoxyacetic acid

    Assign.     Shift(ppm)

      A            11.34
      B             7.279
      C             7.01
      D             6.91
      E             4.665

     Hz     ppm     Int.

   1015.39  11.338    366
    662.83   7.401     53
    661.55   7.387     75
    659.67   7.366     45
    657.53   7.342     31
    656.25   7.328     50
    654.88   7.313    209
    654.37   7.307    178
    652.83   7.290    154
    651.64   7.277     46
    648.39   7.240     98
    647.62   7.232    100
    646.77   7.222    207
    646.00   7.214    163
    643.69   7.188     47
    635.14   7.092     54
    633.78   7.077    103
    632.58   7.064    103
    628.91   7.023     36
    627.28   7.005    112
    626.68   6.998    157
    624.72   6.976    103
    623.44   6.962    229
    621.98   6.945    273
    620.62   6.930     76
    619.51   6.918     93
    618.14   6.902     46
    616.77   6.887     75
    616.26   6.881     78
    615.58   6.874     77
    614.81   6.865    164
    614.12   6.858    136
    613.61   6.852    153
    417.85   4.666   1000

in D2O

in CDCl3