戊二酸(110-94-1)核磁圖(¹HNMR)

產品名稱:戊二酸

CAS:110-94-1

分子式:C5H8O4

分子量: 132.11

InChI:InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)

InChIKey: JFCQEDHGNNZCLN-UHFFFAOYSA-N

Smiles:C(O)(=O)CCCC(O)=O

Mass

MS-NW-0235          
glutaric acid
C5H8O4              (Mass of molecular ion:    132)

   Source Temperature: 170 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      14.0       3.7
      15.0       7.0
      18.0       1.7
      19.0       2.0
      26.0       9.4
      27.0      48.7
      28.0      10.5
      29.0      11.2
      31.0      11.8
      37.0       4.4
      38.0      10.0
      39.0      52.3
      40.0       9.2
      41.0      60.4
      42.0      85.4
      43.0      27.2
      44.0       3.8
      45.0      70.5
      46.0       1.6
      47.0       1.0
      53.0       1.9
      55.0      58.6
      56.0       2.5
      57.0       4.2
      58.0      30.7
      59.0       1.9
      60.0      63.6
      61.0       1.5
      68.0       6.4
      69.0       4.0
      70.0       4.5
      71.0       2.2
      73.0      24.6
      85.0       3.3
      86.0     100.0
      87.0      12.9
      88.0       2.9
     114.0      25.6
     115.0      12.2

90 MHz in D2O

¹H NMR	89.56 MHz
C₅ H₈ O₄	0.058 g : 0.5 ml D₂O
glutaric acid

    Assign.     Shift(ppm)

      B             2.43
      C             1.90
     
     THE SOLVENT SIGNAL REMOVED.

     Hz     ppm     Int.

    228.19   2.548    113
    226.69   2.532    241
    225.63   2.520    280
    218.50   2.440   1000
    215.69   2.409    129
    214.88   2.400    117
    212.13   2.369    539
    211.50   2.362    498
    183.06   2.044     99
    181.31   2.025    100
    179.31   2.003     35
    179.00   1.999     36
    178.56   1.994     37
    176.13   1.967    238
    175.13   1.956    239
    173.69   1.940    109
    172.75   1.929     99
    170.69   1.906     63
    167.88   1.875    253
    164.94   1.842     74
    163.31   1.824     50
    162.94   1.820     49
    161.38   1.802    132
    160.56   1.793    139
    158.75   1.773     48
    158.31   1.768     51
    158.19   1.767     51
    154.13   1.721     38
    152.19   1.700     32

in D2O