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60-31-1

氯化乙酰膽堿(60-31-1)質(zhì)譜(MS)

產(chǎn)品名稱:氯化乙酰膽堿

CAS:60-31-1

分子式:C7H16ClNO2

分子量: 181.66

InChI:InChI=1S/C7H16NO2.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1

InChIKey: JUGOREOARAHOCO-UHFFFAOYSA-M

Smiles:O(C(C)=O)CC[N+](C)(C)C.[Cl-]

  • 圖譜
    Mass 

    MS-NW-4870          
acetylcholine chloride
C7H16ClNO2          (Mass of molecular ion:    181)


       Source Temperature: 230 °C
   Sample Temperature: 190 °C
   Direct, 75 eV


          15.0       7.7
      18.0       1.5
      27.0       1.8
      28.0       2.6
      29.0       1.5
      30.0       4.1
      41.0       1.5
      42.0      13.7
      43.0      14.5
      44.0       4.3
      45.0       1.2
      47.0       1.4
      49.0       1.6
      50.0      16.3
      52.0       5.2
      56.0       5.1
      57.0       2.6
      58.0     100.0
      59.0       4.3
      70.0       1.8
      71.0      10.2
      72.0       3.2
      87.0       1.4
      88.0       1.3

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C7 H16 Cl N O2 0.046 g : 0.5 ml CDCl3
    acetylcholine chloride
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             4.60
      B             4.17
      C             3.562
      D             2.128
  

         Hz     ppm     Int.


        416.06   4.646     33
    412.56   4.607     45
    411.88   4.599     45
    410.81   4.587     44
    409.06   4.568     49
    408.38   4.560     50
    407.88   4.555     49
    377.31   4.213     63
    375.38   4.192     53
    372.63   4.161     51
    372.44   4.159     51
    370.94   4.142     48
    368.13   4.111     40
    319.00   3.562   1000
    190.56   2.128    789

in CDCl3

  • 圖譜

KBr disc

  • 圖譜

liquid film

  • 圖譜

nujol mull

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  • 圖譜

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