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Back ChemicalBook Home>CAS DataBase List>3696-22-8More Spectrum> 1-(4-NITROPHENYL)-2-THIOUREA(3696-22-8) IR1

1-(4-NITROPHENYL)-2-THIOUREA(3696-22-8) IR1

Molecular FormulaC7H7N3O2S

Molecular Weight197.21

InChIInChI=1S/C7H7N3O2S/c8-7(13)9-5-1-3-6(4-2-5)10(11)12/h1-4H,(H3,8,9,13)

InChIKey BLYAANPIHFKKMQ-UHFFFAOYSA-N

SmilesN(C1=CC=C([N+]([O-])=O)C=C1)C(N)=S


  • Mass

    MS-NW-8036          
    1-(p-nitrophenyl)thiourea
    C7H7N3O2S           (Mass of molecular ion:    197)
    

       Source Temperature: 230 °C
       Sample Temperature: 170 °C
       Direct, 75 eV
    

          16.0       1.1
          17.0       1.6
          18.0       1.9
          26.0       1.5
          27.0       2.6
          28.0       9.8
          30.0      11.3
          32.0       4.2
          33.0       1.9
          34.0       2.7
          37.0       4.7
          38.0       9.7
          39.0      21.2
          40.0       3.0
          41.0       4.2
          42.0       1.8
          43.0      19.5
          44.0       1.1
          45.0       3.1
          46.0       1.3
          49.0       1.2
          50.0      20.8
          51.0       9.7
          52.0      10.8
          53.0       7.7
          54.0       2.3
          58.0       1.3
          59.0       5.0
          60.0      57.3
          61.0       4.9
          62.0       9.3
          63.0      29.0
          64.0      18.0
          65.0      46.0
          66.0       6.5
          69.0       3.9
          70.0       2.1
          73.0       1.7
          74.0       8.9
          75.0      12.1
          76.0      13.9
          77.0       5.6
          78.0       4.2
          79.0       3.8
          80.0      14.0
          81.0       2.6
          82.0       1.6
          83.0       2.5
          84.0       1.4
          88.0       1.4
          89.0       1.7
          90.0      31.6
          91.0       9.8
          92.0      32.6
          93.0       4.0
          95.0       1.2
          96.0       3.5
          97.0       1.4
         102.0       1.0
         105.0      13.3
         106.0       3.5
         107.0       5.8
         108.0      48.6
         109.0       7.1
         117.0       3.4
         118.0      13.7
         119.0       1.8
         122.0      12.4
         123.0       3.4
         124.0       1.5
         125.0       2.5
         133.0      18.1
         134.0      16.5
         135.0       2.6
         138.0      69.4
         139.0       6.0
         147.0       1.0
         149.0       1.4
         150.0      16.6
         151.0       2.0
         152.0       1.2
         155.0       7.7
         163.0      17.4
         164.0      17.8
         165.0       1.9
         167.0       2.1
         180.0      33.0
         181.0       4.1
         182.0       2.3
         196.0       7.9
         197.0     100.0
         198.0      11.9
         199.0       5.7
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C7 H7 N3 O2 S 0.038 g : 0.5 ml DMSO-d6
    1-(p-nitrophenyl)thiourea
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.3 B 8.196 C 7.886 E 8.

         Hz     ppm     Int.
    

       4103.84  10.269    464
       3283.44   8.216    134
       3280.51   8.209    825
       3278.50   8.204    370
       3273.19   8.191    346
       3271.17   8.186   1000
       3268.24   8.178    166
       3159.26   7.906    167
       3156.33   7.898    923
       3154.31   7.893    394
       3149.18   7.880    322
       3147.17   7.875    844
       3144.24   7.868    141
    

in DMSO-d6



KBr disc



nujol mull





1-(4-NITROPHENYL)-2-THIOUREA(3696-22-8) IR1 Atlas of Related Products

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