2528-61-2

庚酰氯(2528-61-2)核磁圖(¹³CNMR)

產(chǎn)品名稱:庚酰氯

CAS:2528-61-2

分子式:C7H13ClO

分子量: 148.63

InChI:InChI=1S/C7H13ClO/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3

InChIKey: UCVODTZQZHMTPN-UHFFFAOYSA-N

Smiles:C(Cl)(=O)CCCCCC

Mass

MS-NW-2670          
heptanoyl chloride
C7H13ClO            (Mass of molecular ion:    148)

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

      15.0       2.2
      18.0       1.1
      26.0       4.4
      27.0      46.4
      28.0      11.9
      29.0      36.4
      35.0       1.3
      36.0       7.6
      37.0       1.0
      38.0       2.5
      39.0      27.8
      40.0       5.1
      41.0      76.7
      42.0      34.2
      43.0     100.0
      44.0       3.4
      50.0       1.7
      51.0       2.2
      53.0       5.2
      54.0       3.0
      55.0      74.9
      56.0      30.5
      57.0      13.1
      58.0       1.2
      60.0       2.6
      63.0       4.1
      65.0       1.4
      67.0       3.0
      68.0      45.7
      69.0      15.9
      70.0      18.6
      71.0      34.5
      72.0       2.0
      73.0       1.4
      77.0       2.2
      78.0      27.7
      79.0       5.0
      80.0       9.2
      81.0       1.5
      83.0       9.3
      84.0      40.8
      85.0      14.7
      91.0      13.0
      92.0       1.1
      93.0       4.4
      94.0       5.4
      95.0       3.2
      97.0       2.1
     105.0       4.0
     107.0       1.4
     112.0      11.2
     113.0      44.5
     114.0       3.2
     119.0       2.0
     120.0       4.1
     122.0       1.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₁₃ Cl O	0.05 ml : 0.5 ml CDCl₃
heptanoyl chloride

    Assign.     Shift(ppm)

      A             2.875
      B             1.71
      C          1.53 to 1.09
      D             0.90

     Hz     ppm     Int.

    265.38   2.964    343
    261.63   2.922     40
    258.19   2.883    882
    250.81   2.801    612
    167.44   1.870     37
    166.81   1.863     33
    166.25   1.857     34
    165.88   1.853     35
    165.56   1.849     35
    163.75   1.829     50
    160.44   1.792    125
    157.63   1.761    106
    157.31   1.757    105
    153.13   1.710    216
    147.31   1.645    149
    146.38   1.635    164
    143.00   1.597     81
    141.75   1.583     78
    139.56   1.559     84
    138.63   1.548     74
    138.25   1.544     71
    136.38   1.523     55
    134.94   1.507     72
    133.19   1.488     67
    132.56   1.481     69
    128.19   1.432    174
    127.50   1.424    175
    124.25   1.388    256
    119.06   1.330    811
    117.63   1.314    847
    116.31   1.299    795
    114.94   1.284    819
    106.50   1.190     87
    104.00   1.162     55
    103.56   1.157     54
    102.81   1.148     54
    102.00   1.139     47
    101.38   1.132     44
    100.94   1.128     44
    100.38   1.121     44
     99.94   1.116     45
     99.13   1.107     39
     98.69   1.102     38
     97.88   1.093     33
     96.81   1.081     33
     96.38   1.077     35
     95.31   1.065     34
     95.00   1.061     34
     94.13   1.052     35
     93.63   1.046     35
     93.25   1.042     37
     92.81   1.037     37
     92.13   1.029     38
     91.81   1.026     39
     91.31   1.020     38
     85.38   0.954    282
     83.38   0.931    228
     82.38   0.920    230
     79.94   0.893   1000
     75.69   0.846    136
     73.94   0.826    185
     70.44   0.787     59
     70.06   0.783     63

in CDCl3