Maleamic acid(557-24-4) IR2

Product NameMaleamic acid

CAS 557-24-4

Molecular FormulaC4H5NO3

Molecular Weight115.09

InChIInChI=1S/C4H5NO3/c5-3(6)1-2-4(7)8/h1-2H,(H2,5,6)(H,7,8)/b2-1-

InChIKey FSQQTNAZHBEJLS-UPHRSURJSA-N

SmilesC(O)(=O)/C=C\C(N)=O

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Mass

MS-NW-5011          
maleamic acid
C4H5NO3             (Mass of molecular ion:    115)

   Source Temperature: 180 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      12.0       1.4
      13.0       1.9
      14.0       1.8
      15.0       2.9
      16.0      11.0
      17.0      26.8
      18.0      25.0
      24.0       2.2
      25.0      10.1
      26.0      77.1
      27.0      46.8
      28.0      25.4
      29.0       7.9
      30.0       6.7
      36.0       1.3
      37.0       1.7
      38.0       2.0
      39.0       1.5
      40.0       3.0
      41.0       4.8
      42.0       4.5
      43.0       9.8
      44.0      82.9
      45.0      40.1
      46.0       7.1
      50.0       1.7
      51.0       7.3
      52.0      16.4
      53.0      22.9
      54.0      46.4
      55.0      42.7
      56.0       3.3
      68.0       2.0
      69.0      12.0
      70.0       8.7
      71.0     100.0
      72.0      12.1
      80.0       7.4
      81.0       2.1
      82.0       2.9
      87.0       1.0
      97.0      38.3
      98.0      12.9
      99.0      57.6
     100.0       3.0
     115.0       8.7
     116.0       1.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₄ H₅ N O₃	0.039 g : 0.5 ml DMSO-d₆
maleamic acid

    Assign.     Shift(ppm)

      A            15.3
      B             8.53
      C             8.18
      D     *1      6.424
      E     *1      6.275

     Hz     ppm     Int.

   3408.69   8.530    170
   3394.78   8.495     25
   3269.78   8.182    174
   2578.37   6.452     31
   2574.95   6.444    694
   2562.50   6.412   1000
   2512.94   6.288    920
   2500.49   6.257    633

in DMSO-d6