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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>35444-44-1更多圖譜> 3,甲基脂肪酰氯(35444-44-1)質(zhì)譜(MS)

35444-44-1

3,甲基脂肪酰氯(35444-44-1)質(zhì)譜(MS)

產(chǎn)品名稱: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

  • 圖譜
    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

  • 圖譜

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

  • 圖譜

KBr disc

  • 圖譜

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