35444-44-1

3,甲基脂肪酰氯(35444-44-1)红外图谱(IR1)

产品名称:3,甲基脂肪酰氯

CAS:35444-44-1

分子式:C7H11ClO3

分子量: 178.61

InChI:InChI=1S/C7H11ClO3/c1-11-7(10)5-3-2-4-6(8)9/h2-5H2,1H3

InChIKey: HDLGIEZOMYJKAK-UHFFFAOYSA-N

Smiles:C(OC)(=O)CCCCC(Cl)=O

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-7848          
methyl 5-(chloroformyl)valerate
C7H11ClO3           (Mass of molecular ion:    178)

   Source Temperature: 230 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      14.0       1.3
      15.0      21.7
      26.0       6.0
      27.0      30.2
      28.0      16.9
      29.0      16.6
      30.0       1.0
      31.0       4.2
      32.0       2.0
      35.0       1.6
      36.0       6.7
      38.0       2.3
      39.0      19.9
      40.0       3.1
      41.0      32.2
      42.0      15.6
      43.0      22.6
      44.0       1.8
      45.0       4.6
      48.0       1.0
      49.0       1.1
      50.0       1.8
      51.0       2.5
      52.0       1.2
      53.0       7.0
      54.0      12.3
      55.0     100.0
      56.0       9.5
      57.0       3.1
      58.0       1.8
      59.0      44.3
      60.0       1.7
      63.0       4.5
      64.0       2.2
      65.0       1.7
      67.0       1.3
      68.0       7.9
      69.0      10.9
      71.0       3.7
      72.0       8.7
      73.0      18.8
      74.0      41.5
      75.0       2.0
      77.0       1.0
      78.0       1.1
      81.0       1.7
      82.0      12.0
      83.0      32.7
      84.0       4.1
      85.0       1.0
      86.0       1.0
      87.0       7.8
      90.0       1.4
      91.0       1.9
      97.0       2.7
      99.0       2.8
     100.0       2.8
     101.0       6.5
     110.0       3.5
     111.0      51.5
     112.0       3.9
     113.0       1.9
     114.0      77.7
     115.0      26.5
     116.0       2.2
     118.0       2.5
     119.0       5.0
     120.0       1.0
     121.0       1.8
     129.0       1.5
     142.0       1.1
     143.0      17.3
     144.0       1.6
     146.0       1.9
     147.0      29.3
     148.0       2.9
     149.0       9.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₁₁ Cl O₃	ca 1 mg : 0.5 ml CDCl₃
methyl 5-(chloroformyl)valerate

    Assign.     Shift(ppm)

      A             3.682
      B             2.932
      C             2.356
      D             1.75
      E             1.70

     Hz     ppm     Int.

   1471.68   3.683   1000
   1179.44   2.952    123
   1172.49   2.934    221
   1165.41   2.917    161
    948.49   2.374    133
    941.28   2.356    221
    934.33   2.338    112
    710.57   1.778     45
    708.37   1.773     39
    705.44   1.766     42
    703.25   1.760     43
    702.76   1.759     42
    701.90   1.757     59
    701.17   1.755     55
    700.56   1.753     57
    698.24   1.748     57
    695.07   1.740     83
    693.60   1.736     78
    691.41   1.731     74
    690.31   1.728     67
    688.84   1.724     62
    687.87   1.722     84
    685.55   1.716     72
    684.20   1.712     84
    680.79   1.704     62
    678.47   1.698     55
    677.49   1.696     62
    675.90   1.692     46
    673.46   1.686     35
    670.65   1.679     37
    668.58   1.673     36

in CDCl3