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

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

¹H NMR	89.56 MHz
C₅ H₁₀ O₂	0.05 ml : 0.5 ml CDCl₃
valeric acid

    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