1119-46-6

5-氯戊酸(1119-46-6)核磁图(¹HNMR)

产品名称:5-氯戊酸

CAS:1119-46-6

分子式:C5H9ClO2

分子量: 136.58

InChI:InChI=1S/C5H9ClO2/c6-4-2-1-3-5(7)8/h1-4H2,(H,7,8)

InChIKey: YSXDKDWNIPOSMF-UHFFFAOYSA-N

Smiles:C(O)(=O)CCCCCl

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-3230          
5-chlorovaleric acid
C5H9ClO2            (Mass of molecular ion:    136)

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

      14.0       1.3
      15.0       3.2
      18.0       2.4
      26.0       8.6
      27.0      49.1
      28.0      24.4
      29.0      26.8
      30.0       1.8
      31.0       4.6
      35.0       3.6
      36.0      27.4
      37.0       1.7
      38.0       9.5
      39.0      27.5
      40.0       6.1
      41.0      83.0
      42.0      58.5
      43.0      38.7
      44.0       4.2
      45.0      19.5
      49.0       5.4
      50.0       2.5
      51.0       2.8
      52.0       1.0
      53.0       7.2
      54.0      24.8
      55.0      75.5
      56.0      54.4
      57.0       7.4
      58.0      20.8
      59.0       8.4
      60.0      40.8
      61.0       1.4
      62.0       2.7
      63.0       5.5
      64.0       1.0
      65.0       1.8
      68.0       1.0
      69.0       1.6
      70.0       9.0
      71.0       3.0
      72.0       1.7
      73.0     100.0
      74.0      12.4
      75.0       2.1
      81.0       1.0
      82.0       9.5
      83.0      13.4
      84.0       1.0
      85.0       1.8
      87.0      12.7
      90.0       2.5
      91.0       2.3
      99.0       2.3
     100.0      30.1
     101.0      11.3
     107.0       1.0
     118.0       1.5
     119.0       1.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₉ Cl O₂	0.04 ml : 0.5 ml CDCl₃
5-chlorovaleric acid

    Assign.     Shift(ppm)

      A            11.78
      B             3.554
      C             2.41
      D          1.90 to 1.75

     Hz     ppm     Int.

   1054.61  11.776    367
    328.04   3.663     31
    327.10   3.653     37
    324.71   3.626    263
    323.08   3.608    144
    321.63   3.592    236
    321.03   3.585    237
    318.47   3.556   1000
    315.65   3.525    213
    313.77   3.504    192
    312.40   3.489    347
    309.92   3.461     52
    309.24   3.453     37
    226.44   2.529     37
    226.01   2.524     41
    224.05   2.502    102
    222.77   2.488    197
    219.95   2.456    146
    219.43   2.451    140
    218.15   2.436    145
    216.19   2.414    673
    213.79   2.388    256
    211.40   2.361    207
    209.61   2.341    286
    206.70   2.308     86
    205.08   2.290     36
    204.57   2.285     33
    203.97   2.278     32
    203.37   2.271     31
    178.67   1.995     49
    176.71   1.974     50
    176.20   1.968     45
    175.60   1.961     50
    174.06   1.944     72
    171.58   1.916    117
    169.70   1.895    371
    166.63   1.861    633
    165.43   1.848    404
    163.12   1.822    904
    160.05   1.788    629
    158.00   1.765    310
    156.29   1.746    275
    153.64   1.716    110
    150.82   1.685     81
    149.19   1.666     48
    148.51   1.659     41
    148.08   1.654     39
    146.89   1.641     52

in CDCl3