13CNMR)的核磁圖,紅外圖譜,Raman光譜,質(zhì)譜等圖譜" /> 13CNMR)" />

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67-52-7

巴比妥酸(67-52-7)核磁圖(13CNMR)

產(chǎn)品名稱: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

  • 圖譜
    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

  • 圖譜

    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

  • 圖譜

    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

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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