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Back ChemicalBook Home>CAS DataBase List>65-71-4More Spectrum> Thymine(65-71-4) 13C NMR

65-71-4

Thymine(65-71-4) 13C NMR

Product NameThymine

CAS65-71-4

Molecular FormulaC5H6N2O2

Molecular Weight126.11

InChIInChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)

InChIKey RWQNBRDOKXIBIV-UHFFFAOYSA-N

SmilesC1(=O)NC=C(C)C(=O)N1

  • Thymine(65-71-4) <sup>13</sup>C NMR
    Mass

    MS-NW-0639          
    thymine
    C5H6N2O2            (Mass of molecular ion:    126)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Direct, 75 eV
    

          17.0       1.0
          18.0       4.6
          26.0       6.3
          27.0      13.2
          28.0      34.3
          29.0       2.4
          37.0       1.1
          38.0       2.3
          39.0       6.3
          40.0       4.3
          42.0       1.5
          43.0       2.4
          44.0       3.7
          51.0       2.1
          52.0       7.3
          53.0       4.5
          54.0      30.7
          55.0      81.9
          56.0       6.1
          70.0       2.9
          71.0       2.4
          81.0       1.0
          82.0       7.9
          83.0      12.5
          84.0       1.8
          97.0       1.5
         124.0       1.1
         126.0     100.0
         127.0       6.4
    

400 MHz in DMSO-d6

  • Thymine(65-71-4) <sup>13</sup>C NMR

    1H NMR 399.65 MHz
    C5 H6 N2 O2 0.040 g : 0.5 ml DMSO-d6
    thymine
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 11.0 B *1 10.6 C 7.276 D 1.752

         Hz     ppm     Int.
    

       2908.50   7.278    293
       2907.22   7.275    279
        700.98   1.754   1000
        699.88   1.752    881
    

in D2O

in DMSO-d6

  • Thymine(65-71-4) <sup>13</sup>C NMR

  • Thymine(65-71-4) <sup>13</sup>C NMR

KBr disc

  • Thymine(65-71-4) <sup>13</sup>C NMR

nujol mull

  • Thymine(65-71-4) <sup>13</sup>C NMR

4880 A,200 M,powder

  • Thymine(65-71-4) <sup>13</sup>C NMR

TI(III) COMPLEX IN C6H6/C6H5(CH3), 77K

  • Thymine(65-71-4) <sup>13</sup>C NMR

Thymine(65-71-4) 13C NMR Atlas of Related Products

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