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Back ChemicalBook Home>CAS DataBase List>54187-96-1More Spectrum> 1-(CHLOROMETHYL)-1H-BENZOTRIAZOLE(54187-96-1) 13C NMR

1-(CHLOROMETHYL)-1H-BENZOTRIAZOLE(54187-96-1) 13C NMR

Molecular FormulaC7H6ClN3

Molecular Weight167.6

InChIInChI=1S/C7H6ClN3/c8-5-11-7-4-2-1-3-6(7)9-10-11/h1-4H,5H2

InChIKey VSEROABGEVRIRY-UHFFFAOYSA-N

SmilesN1(CCl)C2=CC=CC=C2N=N1


  • Mass

    MS2016-05372CM      
    1-chloromethyl-1H-benzotriazole 
    C7H6ClN3            (Mass of molecular ion:    167)
    

       Source Temperature: 245 °C
       Sample Temperature:  20 °C
       Direct, 70 eV
    

          18.0       2.6
          27.0       1.5
          28.0       1.6
          37.0       2.8
          38.0       4.3
          39.0       5.4
          49.0      15.2
          50.0      12.0
          51.0      16.0
          52.0       6.6
          61.0       1.6
          62.0       2.6
          63.0       9.2
          64.0       5.1
          65.0       1.5
          73.0       1.4
          74.0       5.5
          75.0       6.6
          76.0       9.7
          77.0      89.6
          78.0       9.8
          90.0      10.6
          91.0       1.3
         102.0       3.6
         103.0       4.0
         104.0      66.8
         105.0       5.4
         111.0       6.5
         112.0       3.7
         113.0       2.4
         114.0       1.2
         132.0     100.0
         133.0       8.5
         138.0      10.6
         139.0       1.1
         140.0       3.5
         167.0      31.9
         168.0       3.3
         169.0      10.3
         170.0       1.1
    

in DMSO-d6



in DMSO-d6



KBr disk



Nujol



1-(CHLOROMETHYL)-1H-BENZOTRIAZOLE(54187-96-1) 13C NMR Atlas of Related Products

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