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Back ChemicalBook Home>CAS DataBase List>1448-98-2More Spectrum> Cyanoacetylurea(1448-98-2) 13C NMR

1448-98-2

Cyanoacetylurea(1448-98-2) 13C NMR

Product NameCyanoacetylurea

CAS1448-98-2

Molecular FormulaC4H5N3O2

Molecular Weight127.1

InChIInChI=1S/C4H5N3O2/c5-2-1-3(8)7-4(6)9/h1H2,(H3,6,7,8,9)

InChIKey QJGRPCPCQQPZLZ-UHFFFAOYSA-N

SmilesC(NC(N)=O)(=O)CC#N

  • Cyanoacetylurea(1448-98-2) <sup>13</sup>C NMR
    Mass

    MS-NW-8006          
    (cyanoacetyl)urea
    C4H5N3O2            (Mass of molecular ion:    127)
    

       Source Temperature: 190 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          14.0       1.5
          16.0       5.0
          17.0       5.3
          18.0       2.3
          27.0       1.3
          28.0       4.4
          29.0       1.9
          38.0       2.1
          39.0       4.6
          40.0      16.3
          41.0      33.0
          42.0       4.3
          43.0       7.2
          44.0     100.0
          45.0       1.5
          60.0       1.0
          67.0       2.0
          68.0       7.7
          70.0       1.7
          84.0      20.8
          85.0       1.2
          87.0       3.7
         127.0       3.8
    

400 MHz in DMSO-d6

  • Cyanoacetylurea(1448-98-2) <sup>13</sup>C NMR

    1H NMR 399.65 MHz
    C4 H5 N3 O2 0.038 g : 0.5 ml DMSO-d6
    (cyanoacetyl)urea
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.4 B 7.4 C 3.909

         Hz     ppm     Int.
    

       4156.59  10.401    178
       2942.75   7.364    186
       1562.41   3.910   1000
    

in DMSO-d6

  • Cyanoacetylurea(1448-98-2) <sup>13</sup>C NMR

KBr disc

  • Cyanoacetylurea(1448-98-2) <sup>13</sup>C NMR

nujol mull

  • Cyanoacetylurea(1448-98-2) <sup>13</sup>C NMR

Cyanoacetylurea(1448-98-2) 13C NMR Atlas of Related Products

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