1HNMR)的核磁圖,紅外圖譜,Raman光譜,質(zhì)譜等圖譜" /> 1HNMR)" />

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6915-15-7

蘋果酸(6915-15-7)核磁圖(1HNMR)

產(chǎn)品名稱:蘋果酸

CAS:6915-15-7

分子式:C4H6O5

分子量: 134.09

InChI:InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)

InChIKey: BJEPYKJPYRNKOW-UHFFFAOYSA-N

Smiles:C(O)(=O)C(O)CC(O)=O

  • 圖譜
    Mass 

    MS-NW-3754          
DL-malic acid
C4H6O5              (Mass of molecular ion:    134)


       Source Temperature: 220 °C
   Sample Temperature: 120 °C
   Direct, 75 eV


          14.0       3.8
      15.0      14.5
      17.0       1.3
      18.0       5.8
      19.0      21.9
      26.0       5.2
      27.0      20.7
      28.0       6.0
      29.0      21.4
      30.0       1.4
      31.0       2.8
      41.0       2.1
      42.0      24.0
      43.0      97.3
      44.0      22.9
      45.0      26.5
      46.0       2.8
      47.0      14.3
      53.0       1.6
      55.0       8.9
      60.0      15.7
      69.0       2.0
      71.0     100.0
      72.0      25.4
      73.0       2.4
      88.0       6.1
      89.0      84.5
      90.0       7.6
      99.0       1.6

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C4 H6 O5 0.05 g : 0.5 ml D2O
    DL-malic acid
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      B             4.616
      C     *1      2.94
      D     *1      2.89
     
     THE SOLVENT SIGNAL REMOVED.
  

         Hz     ppm     Int.


        419.38   4.683    293
    414.19   4.625    370
    413.19   4.614    444
    408.00   4.556    331
    262.75   2.934   1000
    257.69   2.878    628
    256.31   2.862    587

in D2O

  • 圖譜

KBr disc

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nujol mull

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