590-02-3

氯乙酸正丁酯(590-02-3)質(zhì)譜(MS)

產(chǎn)品名稱:氯乙酸正丁酯

CAS:590-02-3

分子式:C6H11ClO2

分子量: 150.6

InChI:InChI=1S/C6H11ClO2/c1-2-3-4-9-6(8)5-7/h2-5H2,1H3

InChIKey: YJRGMUWRPCPLNH-UHFFFAOYSA-N

Smiles:C(OCCCC)(=O)CCl

Mass

MS-NW-2174          
butyl chloroacetate
C6H11ClO2           (Mass of molecular ion:    150)

   Source Temperature: 280 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      14.0       1.8
      15.0       2.2
      18.0       1.9
      26.0       2.0
      27.0      16.6
      28.0       9.2
      29.0      55.3
      30.0       1.2
      31.0       3.9
      39.0       9.1
      40.0       2.0
      41.0      68.3
      42.0      10.3
      43.0      10.9
      44.0       1.4
      49.0      15.5
      51.0       5.2
      55.0      13.1
      56.0     100.0
      57.0      86.0
      58.0       3.8
      60.0       1.7
      71.0       3.7
      73.0       1.5
      76.0       1.6
      77.0      42.9
      78.0       1.5
      79.0      13.2
      95.0       5.9
      97.0       1.8
     107.0       6.4
     109.0       2.1
     121.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₁ Cl O₂	0.04 ml : 0.5 ml CDCl₃
butyl chloroacetate

    Assign.     Shift(ppm)

      A             4.20
      B             4.062
      C             1.66
      D             1.39
      E             0.96

     Hz     ppm     Int.

    382.44   4.271    109
    375.94   4.198    268
    369.50   4.126    150
    363.81   4.063   1000
    155.81   1.740     37
    149.13   1.666     73
    147.00   1.642     47
    142.56   1.592     72
    142.06   1.587     77
    141.63   1.582     75
    140.44   1.569     36
    139.50   1.558     48
    136.63   1.526     62
    135.44   1.513     70
    130.81   1.461     45
    129.25   1.444     59
    127.50   1.424     64
    123.50   1.379     49
    120.75   1.349     59
    114.25   1.276     53
     92.19   1.030     94
     91.06   1.017    138
     90.44   1.010    132
     84.63   0.945    309
     83.25   0.930    100
     78.44   0.876     50
     77.19   0.862     63
     75.25   0.841     30

in CDCl3