25140-86-7

2-(2-氯苯氧基)丙酸(25140-86-7)核磁图(¹³CNMR)

产品名称:2-(2-氯苯氧基)丙酸

CAS:25140-86-7

分子式:C9H9ClO3

分子量: 200.62

InChI:InChI=1S/C9H9ClO3/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,1H3,(H,11,12)

InChIKey: ZGWNXHRVUJVMCP-UHFFFAOYSA-N

Smiles:C(O)(=O)C(OC1=CC=CC=C1Cl)C

Mass

MS-NW-8009          
2-(o-chlorophenoxy)propionic acid
C9H9ClO3            (Mass of molecular ion:    200)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       1.0
      18.0       1.3
      26.0       1.7
      27.0       7.4
      28.0       2.2
      29.0       3.0
      38.0       2.8
      39.0       6.1
      43.0       4.2
      45.0       5.1
      50.0       3.9
      51.0       3.3
      53.0       1.2
      55.0       6.0
      62.0       1.6
      63.0       8.6
      64.0      14.4
      65.0       6.3
      73.0       4.9
      74.0       1.6
      75.0      12.1
      76.0       1.8
      77.0       1.7
      77.5       1.0
      85.0       1.2
      91.0       7.7
      92.0       7.8
      93.0       1.5
      99.0       4.9
     100.0       1.8
     101.0       1.7
     111.0       8.1
     112.0       1.2
     113.0       2.6
     119.0       1.2
     120.0       2.0
     127.0       2.2
     128.0     100.0
     129.0       8.7
     130.0      29.6
     131.0       2.4
     155.0      27.8
     156.0       2.3
     157.0       9.4
     200.0      27.0
     201.0       3.0
     202.0       9.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₉ Cl O₃	0.038 g : 0.5 ml CDCl₃
2-(o-chlorophenoxy)propionic acid

    Assign.     Shift(ppm)

      A            11.3
      B             7.382
      C             7.185
      D             6.962
      E             6.893
      F             4.803
      G             1.715

     Hz     ppm     Int.

   4527.69  11.330     37
   2955.21   7.395    254
   2953.56   7.391    260
   2947.33   7.375    280
   2945.68   7.371    283
   2880.84   7.209    111
   2879.38   7.205    109
   2873.33   7.190    178
   2872.78   7.189    189
   2871.87   7.186    181
   2871.13   7.185    168
   2865.27   7.170    156
   2863.63   7.166    146
   2790.36   6.983    148
   2789.08   6.979    163
   2782.67   6.963    227
   2781.38   6.960    241
   2774.97   6.944    123
   2773.69   6.941    127
   2759.40   6.905    232
   2758.12   6.902    213
   2751.16   6.884    204
   2749.88   6.881    188
   1930.03   4.830     71
   1923.25   4.813    224
   1916.29   4.795    226
   1909.51   4.778     73
    688.89   1.724   1000
    681.93   1.707    979

in CDCl3