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57-43-2

異戊巴比妥(57-43-2)Raman光譜

產(chǎn)品名稱:異戊巴比妥

CAS:57-43-2

分子式:C11H18N2O3

分子量: 226.27

InChI:InChI=1S/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)

InChIKey: VIROVYVQCGLCII-UHFFFAOYSA-N

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

  • 圖譜


        Assign.     Shift(ppm)
    
      A            11.5
      B             1.835
      C             1.79
      D             1.426
      E             0.97
      F             0.810
      G             0.749
    Spectral Code: 1H NMR : 400 MHz in DMSO-d6

  • 圖譜


           ppm   Int.  Assign.
    
      173.04  1000      1
      149.79   458      2
       55.63   443      3
       35.85   209      4
       33.36   254      5 *
       31.70   209      6 *
       27.49   388      7
       22.09   796      8
        9.04   328      9
    Spectral Code: 13C NMR : in DMSO-d6

  • 圖譜

    Spectral Code: IR : nujol mull

  • 圖譜

    Spectral Code: Raman : 4880 A,200 M,powder

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