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123-46-6

吉拉尔特试剂 T(123-46-6)质谱(MS)

产品名称:吉拉尔特试剂 T

CAS:123-46-6

分子式:C5H14N3O.Cl

分子量: 167.64

InChI:InChI=1S/C5H13N3O.ClH/c1-8(2,3)4-5(9)7-6;/h4,6H2,1-3H3;1H

InChIKey: YSULOORXQBDPCU-UHFFFAOYSA-N

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

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    Mass

    MS-NW-0612          
    (carbazoylmethyl)trimethylammonium chloride
    C5H14ClN3O          (Mass of molecular ion:    167)
    

       Source Temperature: 250 °C
       Sample Temperature: 210 °C
       Direct, 75 eV
    

          15.0       7.9
          18.0       2.2
          27.0       1.5
          28.0       4.8
          29.0       2.3
          30.0       9.5
          31.0       2.0
          32.0       3.4
          35.0       1.9
          36.0      13.1
          38.0       4.2
          40.0       1.2
          41.0       2.7
          42.0      15.1
          43.0       6.4
          44.0       8.2
          45.0       2.1
          50.0       2.9
          56.0       1.3
          57.0       3.2
          58.0     100.0
          59.0       9.1
          83.0       1.4
         101.0       1.8
    

90 MHz in D2O

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    1H NMR 89.56 MHz
    C5 H14 Cl N3 O 0.048 g : 0.5 ml D2O
    (carbazoylmethyl)trimethylammonium chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.057 B 3.314 SOLVENT PEAK REMOVED

         Hz     ppm     Int.
    

        363.44   4.059    171
        296.88   3.315   1000
    

in D2O

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KBr disc

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nujol mull

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4880 A,200 M,powder

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