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626-48-2

6-甲基尿嘧啶(626-48-2)红外图谱(IR2)

产品名称:6-甲基尿嘧啶

CAS:626-48-2

分子式:C5H6N2O2

分子量: 126.11

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

InChIKey: SHVCSCWHWMSGTE-UHFFFAOYSA-N

Smiles:C1(=O)NC(C)=CC(=O)N1

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    Mass

    MS-NW-0622          
    6-methyluracil
    C5H6N2O2            (Mass of molecular ion:    126)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Direct, 75 eV
    

          15.0       3.3
          18.0       4.0
          26.0       3.4
          27.0       7.9
          28.0       8.6
          37.0       1.5
          38.0       3.0
          39.0       6.9
          40.0       7.3
          41.0       5.9
          42.0      85.2
          43.0       3.4
          44.0       2.4
          49.0       1.3
          51.0       1.6
          52.0       4.1
          53.0       1.4
          54.0       6.3
          55.0       4.5
          67.0       1.4
          68.0      48.3
          69.0       2.1
          70.0       1.9
          83.0      41.7
          84.0       4.2
          97.0       1.5
         126.0     100.0
         127.0       6.3
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C5 H6 N2 O2 0.038 g : 0.5 ml DMSO-d6
    6-methyluracil
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 10.9 B *1 10.8 C 5.333 D 2.023

         Hz     ppm     Int.
    

       4350.57  10.886     88
       4327.49  10.829     93
       2131.33   5.333    219
        809.23   2.025   1000
        808.31   2.023    981
    

KBr disc

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nujol mull

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

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