701-99-5

苯氧乙酰氯(701-99-5)紅外圖譜(IR1)

產品名稱:苯氧乙酰氯

CAS:701-99-5

分子式:C8H7ClO2

分子量: 170.59

InChI:InChI=1S/C8H7ClO2/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2

InChIKey: PKUPAJQAJXVUEK-UHFFFAOYSA-N

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

Mass

MS-NW-2942          
phenoxyacetyl chloride
C8H7ClO2            (Mass of molecular ion:    170)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      14.0       1.4
      27.0       1.9
      28.0       2.4
      29.0       1.1
      36.0       1.4
      37.0       1.2
      38.0       3.2
      39.0      11.6
      42.0       2.4
      49.0       2.5
      50.0       6.0
      51.0      17.9
      52.0       1.4
      53.5       2.9
      62.0       1.1
      63.0       3.0
      64.0       1.6
      65.0      11.2
      66.0       1.8
      74.0       1.4
      75.0       1.2
      76.0       1.8
      77.0      70.3
      78.0       5.7
      79.0      16.6
      80.0       1.1
      93.0       1.1
      94.0       9.7
     105.0       1.2
     107.0     100.0
     108.0       7.6
     119.0       1.3
     170.0      35.7
     171.0       3.0
     172.0      11.7
     173.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₇ Cl O₂	0.05 ml : 0.5 ml CDCl₃
phenoxyacetyl chloride

    Assign.     Shift(ppm)

      A             7.276
      B             7.02
      C             6.88
      D             4.882

     Hz     ppm     Int.

    662.13   7.394     42
    660.75   7.378     65
    658.88   7.357     33
    655.50   7.320     36
    653.94   7.302    159
    652.19   7.283     90
    647.69   7.232     71
    646.00   7.214    164
    645.25   7.205    125
    642.94   7.179     30
    636.44   7.107     47
    635.13   7.092     94
    633.81   7.077     76
    630.19   7.037     32
    628.44   7.017     96
    628.00   7.013    108
    621.94   6.945     35
    620.69   6.931     79
    619.50   6.918    175
    618.06   6.902    230
    615.75   6.876     45
    612.75   6.842     61
    612.38   6.838     61
    611.88   6.833     56
    610.88   6.821    126
    610.13   6.813    109
    609.63   6.807    116
    437.31   4.883   1000

in CDCl3