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Back ChemicalBook Home>CAS DataBase List>59855-11-7More Spectrum> 4-AMIDINOBENZAMIDE HYDROCHLORIDE(59855-11-7) MS

59855-11-7

4-AMIDINOBENZAMIDE HYDROCHLORIDE(59855-11-7) MS

Molecular FormulaC8H10ClN3O

Molecular Weight199.64

InChIInChI=1S/C8H9N3O.ClH/c9-7(10)5-1-3-6(4-2-5)8(11)12;/h1-4H,(H3,9,10)(H2,11,12);1H

InChIKey IYIAWOSYBLPUNL-UHFFFAOYSA-N

SmilesC(N)(=O)C1=CC=C(C(=N)N)C=C1.[H]Cl

  • 4-AMIDINOBENZAMIDE HYDROCHLORIDE(59855-11-7) MS
    Mass

    MS-IW-0089          
    p-amidinobenzamide hydrochloride
    C8H9N3O HCl         (Mass of molecular ion:    163)
    

       Source Temperature: 240 °C
       Sample Temperature: 210 °C
       Direct, 75 eV
    

          17.0       1.6
          18.0       6.4
          28.0       1.6
          35.0       2.2
          36.0      27.2
          37.0       1.0
          38.0       9.2
          39.0       1.7
          43.0      10.8
          44.0       5.1
          50.0       7.1
          51.0       8.2
          51.5       2.9
          52.0       2.6
          63.0       1.3
          64.0       1.0
          65.0       6.4
          65.5       1.3
          73.0       1.4
          74.0       3.1
          75.0       8.5
          76.0       9.9
          77.0       8.8
          78.0       1.7
          90.0       1.0
          91.0       1.0
          92.0       4.2
         101.0       1.5
         102.0      23.1
         103.0      12.5
         104.0       5.0
         105.0       3.0
         118.0       1.3
         119.0      14.0
         120.0       4.4
         121.0       1.6
         128.0       4.0
         129.0       1.4
         130.0      24.6
         131.0       2.4
         146.0      12.8
         147.0      89.0
         148.0       8.9
         162.0       5.6
         163.0     100.0
         164.0      12.1
    

400 MHz in DMSO-d6

  • 4-AMIDINOBENZAMIDE HYDROCHLORIDE(59855-11-7) MS

    1H NMR 399.65 MHz
    C8 H9 N3 O 0.036 g : 0.5 ml DMSO-d6
    p-amidinobenzamide hydrochloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 9.66 B *1 9.45 C *2 8.36 D *3 8.104 E *3 7.974 F *2 7.71

         Hz     ppm     Int.
    

       3858.80   9.656    233
       3776.25   9.449    232
       3341.22   8.361    358
       3331.91   8.338     28
       3250.27   8.133     30
       3243.71   8.117    756
       3235.32   8.096   1000
       3198.24   8.003     25
       3197.63   8.002     26
       3190.31   7.983    968
       3182.07   7.963    720
       3079.83   7.707    361
    

in DMSO-d6

  • 4-AMIDINOBENZAMIDE HYDROCHLORIDE(59855-11-7) MS

KBr disc

  • 4-AMIDINOBENZAMIDE HYDROCHLORIDE(59855-11-7) MS

nujol mull

  • 4-AMIDINOBENZAMIDE HYDROCHLORIDE(59855-11-7) MS

4880 A,200 M,powder

  • 4-AMIDINOBENZAMIDE HYDROCHLORIDE(59855-11-7) MS

4-AMIDINOBENZAMIDE HYDROCHLORIDE(59855-11-7) MS Atlas of Related Products

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