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Back ChemicalBook Home>CAS DataBase List>60-31-1More Spectrum> Acetylcholine chloride(60-31-1) IR2

60-31-1

Acetylcholine chloride(60-31-1) IR2

Molecular FormulaC7H16ClNO2

Molecular Weight181.66

InChIInChI=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

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

  • Acetylcholine chloride(60-31-1) IR2
    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

  • Acetylcholine chloride(60-31-1) IR2

    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

  • Acetylcholine chloride(60-31-1) IR2

KBr disc

  • Acetylcholine chloride(60-31-1) IR2

liquid film

  • Acetylcholine chloride(60-31-1) IR2

nujol mull

  • Acetylcholine chloride(60-31-1) IR2

  • Acetylcholine chloride(60-31-1) IR2

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