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Back ChemicalBook Home>CAS DataBase List>645-48-7More Spectrum> 1-PHENYL-3-THIOSEMICARBAZIDE(645-48-7) 1H NMR

1-PHENYL-3-THIOSEMICARBAZIDE(645-48-7) 1H NMR

Molecular FormulaC7H9N3S

Molecular Weight167.23

InChIInChI=1S/C7H9N3S/c8-7(11)10-9-6-4-2-1-3-5-6/h1-5,9H,(H3,8,10,11)

InChIKey JDXKTOBMLZLCSB-UHFFFAOYSA-N

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


  • Mass

    MS-NW-2425          
    1-phenyl(thiosemicarbazide)
    C7H9N3S             (Mass of molecular ion:    167)
    

       Source Temperature: 260 °C
       Sample Temperature: 160 °C
       Direct, 75 eV
    

          13.0       1.9
          16.0       1.1
          17.0       1.3
          18.0       5.9
          26.0       1.8
          27.0       5.4
          28.0      14.0
          29.0       3.2
          32.0       9.1
          33.0       4.5
          34.0       9.8
          37.0       3.1
          38.0       6.5
          39.0      20.5
          40.0       4.9
          41.0       6.8
          42.0      28.3
          43.0      11.4
          45.0       1.1
          46.5       2.7
          48.0       1.1
          50.0       7.0
          51.0      18.6
          52.0       7.3
          53.0       3.0
          54.0       3.5
          58.0       1.5
          59.0      11.9
          60.0      25.0
          61.0       2.6
          62.0       4.3
          63.0       7.3
          64.0       7.4
          65.0      38.1
          66.0      32.5
          67.0       4.2
          74.0       2.1
          75.0       1.6
          76.0       5.5
          77.0      41.6
          78.0      17.3
          79.0       7.2
          80.0       4.9
          81.0       2.2
          90.0       1.0
          91.0      19.1
          92.0      41.7
          93.0     100.0
          94.0       7.6
          97.0       1.1
         105.0       6.6
         106.0       4.6
         107.0      11.2
         108.0      61.1
         109.0       4.7
         110.0       5.1
         124.0       1.2
         125.0       6.2
         131.0       2.7
         133.0       5.2
         150.0       6.8
         167.0      66.7
         168.0       6.3
         169.0       3.4
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C7 H9 N3 S 0.041 g : 0.5 ml DMSO-d6
    1-phenyl(thiosemicarbazide)
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 9.28 B *1 7.91 C *2 7.79 D *2 7.45 E 7.184 F 6.774 G 6.667

         Hz     ppm     Int.
    

       3710.94   9.286    670
       3160.71   7.909    664
       3113.25   7.790    275
       2988.59   7.479    301
       2879.03   7.204    559
       2877.20   7.200    248
       2871.55   7.186    850
       2870.48   7.183    870
       2863.16   7.165    665
       2714.23   6.792    288
       2706.91   6.774    512
       2699.58   6.755    246
       2669.53   6.680    815
       2668.46   6.677   1000
       2660.83   6.658    934
       2659.91   6.656    777
    

KBr disc



nujol mull



1-PHENYL-3-THIOSEMICARBAZIDE(645-48-7) 1H NMR Atlas of Related Products

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