氯乙酸芐酯(140-18-1)質(zhì)譜(MS)

產(chǎn)品名稱:氯乙酸芐酯

CAS:140-18-1

分子式:C9H9ClO2

分子量: 184.62

InChI:InChI=1S/C9H9ClO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,6-7H2

InChIKey: SOGXBRHOWDEKQB-UHFFFAOYSA-N

Smiles:C(OCC1=CC=CC=C1)(=O)CCl

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-4045          
benzyl chloroacetate
C9H9ClO2            (Mass of molecular ion:    184)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       1.1
      28.0       1.1
      39.0       7.5
      41.0       2.1
      42.0       1.7
      43.0       1.0
      45.5       1.2
      49.0       6.3
      50.0       3.1
      51.0      10.8
      52.0       2.6
      62.0       1.0
      63.0       4.7
      64.0       1.6
      65.0      17.7
      66.0       1.0
      76.0       1.0
      77.0      19.3
      78.0       4.1
      79.0      18.7
      80.0       1.5
      89.0      13.9
      90.0      56.1
      91.0     100.0
      92.0       9.4
     105.0       6.4
     106.0       1.7
     107.0      32.3
     108.0      95.2
     109.0       7.5
     125.0       3.6
     127.0       1.1
     149.0       2.4
     167.0       1.7
     182.0       1.2
     184.0      37.2
     185.0       3.8
     186.0      12.3
     187.0       1.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₉ Cl O₂	0.05 ml : 0.5 ml CDCl₃
benzyl chloroacetate

    Assign.     Shift(ppm)

      A          7.35 to 7.34
      B             5.180
      C             4.046

     Hz     ppm     Int.

   2942.14   7.362     79
   2939.58   7.356    230
   2938.35   7.353    190
   2935.67   7.346   1000
   2933.47   7.341    211
   2932.98   7.339    231
   2932.50   7.338    245
   2930.30   7.333    154
   2928.59   7.328    108
   2927.12   7.325     73
   2925.42   7.320     49
   2923.95   7.317     68
   2922.61   7.313     45
   2070.19   5.181    769
   1620.73   4.056     36
   1616.94   4.046    937

in CDCl3