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Back ChemicalBook Home>CAS DataBase List>97-39-2More Spectrum> Di-o-tolylguanidine(97-39-2) MS

Di-o-tolylguanidine(97-39-2) MS

Product NameDi-o-tolylguanidine

CAS97-39-2

Molecular FormulaC15H17N3

Molecular Weight239.32

InChIInChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)

InChIKey OPNUROKCUBTKLF-UHFFFAOYSA-N

SmilesN(C1=CC=CC=C1C)C(=N)NC1=CC=CC=C1C


  • Mass

    MS-NW-0468          
    1,3-di(o-tolyl)guanidine
    C15H17N3            (Mass of molecular ion:    239)
    

       Source Temperature: 230 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          18.0       2.2
          28.0       1.3
          39.0       2.0
          41.0       1.1
          43.0       1.9
          51.0       1.2
          55.0       1.3
          57.0       2.3
          65.0       6.0
          66.0       1.3
          69.0       1.7
          70.0       1.0
          71.0       1.4
          77.0       3.2
          78.0       1.7
          79.0       2.6
          81.0       1.3
          83.0       1.6
          85.0       1.5
          89.0       1.8
          90.0       1.4
          91.0       7.6
          92.0       1.3
          95.0       1.0
          97.0       1.7
         104.0       2.9
         105.0       1.1
         106.0      18.9
         107.0     100.0
         108.0       7.4
         116.0       4.1
         117.0       1.1
         118.0       1.0
         118.5       2.0
         127.0       1.0
         131.0       3.7
         132.0       4.8
         133.0      11.8
         134.0       1.0
         222.0       1.5
         224.0       7.5
         225.0       1.3
         238.0       4.7
         239.0      47.2
         240.0       8.5
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C15 H17 N3 0.039 g : 0.5 ml DMSO-d6
    1,3-di(o-tolyl)guanidine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.5 B 7.12 C 7.065 D 6.826 E 5.09 F 2.185

         Hz     ppm     Int.
    

       2847.78   7.126    200
       2840.33   7.108    219
       2831.67   7.086    107
       2830.93   7.084    106
       2830.57   7.083    106
       2823.85   7.066    190
       2816.41   7.048    106
       2735.47   6.845    127
       2734.62   6.843    126
       2728.03   6.827    205
       2727.17   6.824    209
       2720.70   6.808     92
       2719.73   6.806     97
       2036.50   5.096     52
        873.54   2.186   1000
    

in DMSO-d6

in CDCl3





CCl4 solution



KBr disc



nujol mull





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