591-80-0

4-戊烯酸(591-80-0)核磁图(¹HNMR)

产品名称:4-戊烯酸

CAS:591-80-0

分子式:C5H8O2

分子量: 100.12

InChI:InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H,6,7)

InChIKey: HVAMZGADVCBITI-UHFFFAOYSA-N

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

Mass

MS-NW-5391          
4-pentenoic acid
C5H8O2              (Mass of molecular ion:    100)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      14.0       1.0
      15.0       2.2
      18.0       3.4
      26.0       8.0
      27.0      38.6
      28.0      17.0
      29.0      36.6
      30.0       1.8
      31.0       2.6
      37.0       2.1
      38.0       4.2
      39.0      43.4
      40.0       4.8
      41.0      52.0
      42.0       9.0
      43.0      29.5
      44.0       4.2
      45.0      12.3
      46.0       1.0
      49.0       1.5
      50.0       5.1
      51.0       5.9
      52.0       2.5
      53.0      15.9
      54.0      40.7
      55.0     100.0
      56.0      20.1
      57.0      12.9
      58.0      24.7
      59.0       1.3
      60.0      10.2
      67.0       1.7
      71.0       2.4
      72.0       2.0
      73.0       5.7
      79.0       1.3
      80.0       1.3
      81.0       3.4
      82.0      12.6
      83.0       4.9
      85.0       2.5
      94.0       1.0
      95.0       2.6
      97.0       1.2
      98.0       1.0
      99.0       4.7
     100.0      21.8
     101.0       1.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₈ O₂	0.04 ml : 0.5 ml CDCl₃
4-pentenoic acid

    Assign.     Shift(ppm)

      A            11.36
      B             5.82
      C             5.07
      D             5.02
      E          2.71 to 2.16

     Hz     ppm     Int.

   1017.53  11.362    120
   1017.19  11.358    121
   1016.85  11.354    121
    537.56   6.003     82
    535.08   5.975     30
    533.72   5.960     42
    532.26   5.944     39
    531.41   5.934     37
    527.65   5.892    111
    526.45   5.879     66
    525.09   5.863     62
    521.67   5.825     52
    520.21   5.809    143
    518.68   5.792     47
    518.25   5.787     40
    517.74   5.781     36
    516.37   5.766     73
    514.58   5.746     85
    512.35   5.721     34
    510.39   5.699    199
    508.59   5.679     69
    507.91   5.672     43
    506.37   5.654     34
    504.32   5.632     69
    465.27   5.196     67
    463.73   5.178    199
    463.22   5.173    168
    461.85   5.157    317
    461.17   5.150    151
    460.49   5.142    111
    458.61   5.121     37
    456.64   5.099    113
    455.44   5.086    308
    454.68   5.077    189
    453.56   5.065    184
    452.97   5.058     91
    447.92   5.002     67
    446.47   4.986    202
    445.62   4.976    310
    444.59   4.965    347
    443.65   4.954    201
    232.25   2.594     40
    227.38   2.539     92
    223.54   2.496     30
    222.17   2.481     83
    221.14   2.470    337
    220.37   2.461    500
    219.35   2.450    896
    218.66   2.442   1000
    217.04   2.424    583
    214.90   2.400    377
    214.14   2.392    308
    213.11   2.380    165
    212.26   2.371    152
    211.57   2.363    118
    210.80   2.354    197
    209.09   2.335    116
    207.73   2.320     44
    205.42   2.294     38
    203.97   2.278     52
    202.43   2.261     51

in CDCl3