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Back ChemicalBook Home>CAS DataBase List>100-97-0More Spectrum> Hexamethylenetetramine(100-97-0) MS

Hexamethylenetetramine(100-97-0) MS

Molecular FormulaC6H12N4

Molecular Weight140.19

InChIInChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2

InChIKey VKYKSIONXSXAKP-UHFFFAOYSA-N

SmilesN12CN3CN(CN(C3)C1)C2


  • Mass

    MS-NW-1244          
    1,3,5,7-tetraazatricyclo(3.3.1.1(3,7))decane
    C6H12N4             (Mass of molecular ion:    140)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       7.4
          28.0       1.9
          30.0       1.2
          41.0       3.7
          42.0     100.0
          43.0       3.7
          44.0       1.5
          69.0       3.1
          71.0       3.9
          83.0       2.9
          84.0       1.3
          85.0       5.5
          96.0       1.0
         111.0       2.0
         112.0       7.7
         140.0      38.6
         141.0       3.2
    

parameter in CDCl3


  • 1H NMR 300 MHz
    C6 H12 N4 0.049 g : 0.5 ml CDCl3
    1,3,5,7-tetraazatricyclo(3.3.1.1(3,7))decane
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 4.719

         Hz     ppm     Int.
    

       1415.70   4.719   1000
    

in CDCl3



CCl4 solution



KBr disc



nujol mull



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