ChemicalBook
English   Japanese   Germany   Korea
返回ChemicalBook首页>CAS数据库列表>67-52-7更多图谱> 巴比妥酸(67-52-7)红外图谱(IR2)

67-52-7

巴比妥酸(67-52-7)红外图谱(IR2)

产品名称:巴比妥酸

CAS:67-52-7

分子式:C4H4N2O3

分子量: 128.09

InChI:InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)

InChIKey: HNYOPLTXPVRDBG-UHFFFAOYSA-N

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

  • 图谱
    Mass

    MS-NW-0230          
    barbituric acid
    C4H4N2O3            (Mass of molecular ion:    128)
    

       Source Temperature: 210 °C
       Sample Temperature:   0 °C
       Direct, 75 eV
    

          14.0       3.2
          27.0       2.8
          28.0       7.0
          29.0       3.2
          39.0       1.3
          40.0       1.8
          41.0       5.2
          42.0     100.0
          43.0       8.4
          44.0       6.0
          68.0       1.1
          69.0       5.5
          70.0       4.7
          85.0      13.5
         100.0       4.0
         128.0      51.8
         129.0       2.7
    

400 MHz in DMSO-d6

90 MHz in DMSO-d6

  • 图谱

    1H NMR 399.65 MHz
    C4 H4 N2 O3 0.040 g : 0.5 ml DMSO-d6
    barbituric acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.1 B 3.466

         Hz     ppm     Int.
    

       4448.20  11.131    523
       1385.29   3.467   1000
    

  • 图谱

    1H NMR 89.56 MHz
    C4 H4 N2 O3 0.045 g : 0.5 ml DMSO-d6
    barbituric acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.09 B 3.469

         Hz     ppm     Int.
    

        993.25  11.091    215
        314.01   3.507     32
        310.72   3.470   1000
    

in DMSO-d6

  • 图谱

KBr disc

  • 图谱

nujol mull

  • 图谱

×