ChemicalBook
English   Japanese   Germany   Korea

109-52-4

正戊酸(109-52-4)质谱(MS)

产品名称:正戊酸

CAS:109-52-4

分子式:C5H10O2

分子量: 102.13

InChI:InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)

InChIKey: NQPDZGIKBAWPEJ-UHFFFAOYSA-N

Smiles:C(O)(=O)CCCC

  • 图谱
    Mass

    MS-NW-3125          
    valeric acid
    C5H10O2             (Mass of molecular ion:    102)
    

       Source Temperature: 280 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          26.0       1.9
          27.0      13.7
          28.0       5.7
          29.0      14.7
          31.0       1.3
          39.0       6.5
          41.0      15.0
          42.0       6.9
          43.0       7.8
          45.0       6.7
          55.0       5.7
          56.0       4.0
          57.0       2.7
          59.0       1.0
          60.0     100.0
          61.0       4.2
          73.0      37.2
          74.0       3.8
          85.0       1.0
          87.0       2.3
    

90 MHz in CDCl3

  • 图谱

    1H NMR 89.56 MHz
    C5 H10 O2 0.05 ml : 0.5 ml CDCl3
    valeric acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.96 B 2.35 C 1.62 D 1.39 E 0.93

         Hz     ppm     Int.
    

       1070.68  11.955    761
        219.09   2.447    188
        218.15   2.436    202
        211.40   2.361    537
        204.22   2.281    408
        161.33   1.802     34
        160.05   1.788     59
        153.89   1.719    163
        151.33   1.690    123
        147.14   1.643    196
        146.12   1.632    187
        144.15   1.610    144
        140.31   1.567    197
        139.28   1.556    281
        136.63   1.526    146
        133.13   1.487    245
        128.52   1.436    132
        127.15   1.420    184
        125.44   1.401    183
        123.65   1.381     73
        121.51   1.357    144
        118.86   1.328    184
        116.98   1.307     77
        115.36   1.289     80
        112.37   1.255    163
        111.08   1.241     81
        105.79   1.182     75
         90.32   1.009    305
         89.29   0.997    498
         82.97   0.927   1000
         81.60   0.912    385
         76.82   0.858    166
         75.54   0.844    227
         73.57   0.822    106
    

in CDCl3

  • 图谱

liquid film

  • 图谱

  • 图谱

×