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Back ChemicalBook Home>CAS DataBase List>56-95-1More Spectrum> Chlorhexidine Diacetate(56-95-1) 13C NMR

Chlorhexidine Diacetate(56-95-1) 13C NMR

Molecular FormulaC26H38Cl2N10O4

Molecular Weight625.55

InChIInChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)

InChIKey GHXZTYHSJHQHIJ-UHFFFAOYSA-N

SmilesC(NC(NC(NC1=CC=C(Cl)C=C1)=N)=N)CCCCCNC(NC(NC1=CC=C(Cl)C=C1)=N)=N


  • Mass

    MS2011-04555CW      
    1,1'-hexamethylenebis(5-(p-chlorophenyl)biguanide) diacetate
    1/2C22H30Cl2N10 C2H4O2 (H2O)(Mass of molecular ion:    504)
    

       Source Temperature: 250 °C
       Sample Temperature:  25 °C
       Direct, 70 eV
    

          15.0       1.2
          16.0       1.0
          17.0       1.4
          18.0       4.3
          27.0       1.2
          28.0       3.2
          29.0       1.0
          30.0      17.3
          37.0       2.7
          38.0       3.8
          39.0       5.1
          41.0       3.6
          42.0       3.0
          43.0      16.4
          44.0       5.6
          44.5       1.1
          45.0       3.2
          49.0       1.0
          50.0       6.4
          51.0       3.4
          52.0       1.9
          53.0       1.0
          55.0       2.9
          56.0       2.3
          59.0       4.8
          60.0       4.2
          61.0       2.4
          62.0       4.5
          63.0      10.2
          64.0       4.3
          65.0       5.0
          68.0       1.2
          69.0       1.3
          72.0       8.3
          73.0       9.3
          74.0       4.5
          75.0      12.9
          76.0       5.6
          77.0       2.0
          83.0       1.0
          85.0       1.9
          86.0       8.7
          87.0       4.1
          88.0       1.2
          89.0       3.3
          90.0      16.3
          91.0       2.7
          92.0       2.4
          98.0       3.0
          99.0       8.8
         100.0       5.2
         101.0       4.2
         111.0      11.6
         112.0       3.2
         113.0       4.2
         114.0       3.3
         115.0       4.3
         116.0       1.6
         117.0       9.5
         118.0       1.2
         124.0       1.6
         125.0      33.9
         126.0       4.7
         127.0      30.2
         128.0      12.4
         129.0       8.8
         142.0       7.5
         151.0       1.7
         152.0     100.0
         153.0      12.8
         154.0      31.8
         155.0       4.1
         169.0       6.1
         170.0       1.9
         171.0       2.1
         178.0       1.0
         184.0       2.2
         195.0       2.8
         224.0       1.0
         235.0       1.1
         236.0       1.3
         238.0       1.5
         280.0       1.5
         310.0       2.2
         345.0       1.2
         346.0       2.0
         347.0       1.1
         348.0       1.3
    

in DMSO-d6



in DMSO-d6



KBr disc



nujol mull



Chlorhexidine Diacetate(56-95-1) 13C NMR Atlas of Related Products

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