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Back ChemicalBook Home>CAS DataBase List>123-46-6More Spectrum> Girard's Reagent T(123-46-6) MS

Girard's Reagent T(123-46-6) MS

Product NameGirard's Reagent T

CAS123-46-6

Molecular FormulaC5H14N3O.Cl

Molecular Weight167.64

InChIInChI=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-]


  • 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


  • 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



KBr disc



nujol mull



4880 A,200 M,powder



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