6962-92-1

4-氯丁醇醋酸酯(6962-92-1)紅外圖譜(IR1)

產(chǎn)品名稱:4-氯丁醇醋酸酯

CAS:6962-92-1

分子式:C6H11ClO2

分子量: 150.6

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

InChIKey: PYLDCZJUHYVOAF-UHFFFAOYSA-N

Smiles:C(OC(=O)C)CCCCl

Mass

MS-IW-9136          
4-chlorobutyl acetate
C6H11ClO2           (Mass of molecular ion:    150)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       2.7
      27.0       4.6
      28.0       1.9
      29.0       3.7
      39.0       3.7
      41.0       6.5
      42.0       5.2
      43.0     100.0
      44.0       2.9
      49.0       1.1
      53.0       1.4
      54.0      28.4
      55.0      20.5
      58.0       3.8
      61.0      13.1
      62.0       2.7
      71.0       2.5
      73.0      14.3
      87.0       1.3
      90.0       4.9
      91.0       1.1
      92.0       1.6
     107.0       3.4
     109.0       1.0
     115.0       1.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₁ Cl O₂	0.05 ml : 0.5 ml CDCl₃
4-chlorobutyl acetate

    Assign.     Shift(ppm)

      A             4.101
      B             3.579
      C             2.054
      D             1.85
      E             1.81

     Hz     ppm     Int.

   1645.51   4.118    227
   1639.28   4.102    362
   1633.06   4.087    185
   1436.52   3.595    208
   1430.30   3.579    391
   1423.83   3.563    247
    821.04   2.055   1000
    817.26   2.045     49
    752.81   1.884     57
    751.95   1.882     62
    750.37   1.878     74
    747.68   1.871     72
    746.83   1.869     61
    745.24   1.865     89
    743.77   1.862    134
    741.21   1.855    121
    738.77   1.849     65
    737.43   1.846    137
    736.21   1.843    114
    734.74   1.839     76
    731.57   1.831    115
    730.22   1.828    116
    726.93   1.819     71
    725.59   1.816    111
    724.37   1.813    131
    723.02   1.810     67
    720.58   1.804    102
    718.14   1.797    124
    716.55   1.793     79
    715.09   1.790     57
    714.23   1.788     62
    711.55   1.781     67
    709.96   1.777     52
    708.98   1.775     52

in CDCl3