丁酰胺酸(638-32-4)紅外圖譜(IR1)

產(chǎn)品名稱:丁酰胺酸

CAS:638-32-4

分子式:C4H7NO3

分子量: 117.1

InChI:InChI=1S/C4H7NO3/c5-3(6)1-2-4(7)8/h1-2H2,(H2,5,6)(H,7,8)

InChIKey: JDVPQXZIJDEHAN-UHFFFAOYSA-N

Smiles:C(O)(=O)CCC(N)=O

Mass

MS-NW-6917          
succinamic acid
C4H7NO3             (Mass of molecular ion:    117)

   Source Temperature: 200 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      16.0       1.5
      17.0       1.3
      18.0       1.4
      25.0       1.0
      26.0       8.0
      27.0      17.7
      28.0      19.8
      29.0      10.1
      30.0       4.2
      31.0       1.5
      41.0       1.6
      42.0       4.8
      43.0       4.8
      44.0      52.6
      45.0      21.2
      46.0       2.6
      47.0       1.1
      51.0       1.0
      52.0       1.8
      53.0       2.8
      54.0       5.1
      55.0      39.2
      56.0      16.2
      57.0       2.2
      71.0       2.7
      72.0       9.9
      73.0      41.3
      74.0     100.0
      75.0       3.6
      82.0       1.6
      99.0      18.3
     100.0       8.4
     101.0      21.0
     102.0       1.1
     117.0      11.8
     118.0       1.0

90 MHz in D2O

¹H NMR	89.56 MHz
C₄ H₇ N O₃	saturated in D₂O
succinamic acid

    Assign.     Shift(ppm)

      A     *1      2.63
      B     *1      2.59
     
     SOLVENT PEAK REMOVED

     Hz     ppm     Int.

    248.13   2.771     43
    245.94   2.747     37
    243.00   2.714     86
    240.75   2.689     31
    238.56   2.664     92
    237.44   2.652    428
    236.75   2.644    495
    235.56   2.631    240
    233.88   2.612    987
    233.13   2.604   1000
    231.50   2.585    262
    230.31   2.572    485
    229.63   2.564    339
    228.44   2.551    112
    224.06   2.502     91
    221.13   2.470     35
    218.94   2.445     42

KBr disc