1575-74-2

2-甲基-4-戊酸(1575-74-2)核磁圖(¹HNMR)

產(chǎn)品名稱:2-甲基-4-戊酸

CAS:1575-74-2

分子式:C6H10O2

分子量: 114.14

InChI:InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3,5H,1,4H2,2H3,(H,7,8)

InChIKey: HVRZYSHVZOELOH-UHFFFAOYSA-N

Smiles:C(O)(=O)C(C)CC=C

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-6979          
2-methyl-4-pentenoic acid
C6H10O2             (Mass of molecular ion:    114)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      26.0       1.7
      27.0      11.3
      28.0       5.6
      29.0       5.8
      31.0       1.0
      38.0       1.9
      39.0      22.0
      40.0       4.2
      41.0      80.5
      42.0      10.8
      43.0      10.1
      44.0       3.1
      45.0       6.9
      51.0       1.4
      53.0       7.8
      54.0       1.6
      55.0      10.2
      56.0      13.1
      57.0       8.3
      58.0       2.5
      60.0       2.0
      65.0       1.1
      67.0       8.1
      68.0      11.0
      69.0     100.0
      70.0       9.5
      71.0       5.9
      72.0       2.3
      73.0       6.3
      74.0       5.1
      81.0       3.6
      85.0       1.0
      86.0       2.0
      87.0       1.1
      95.0       1.1
      96.0       3.2
      97.0       1.6
      99.0      19.2
     100.0       1.1
     114.0      16.3
     115.0       1.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₀ O₂	0.05 ml : 0.5 ml CDCl₃
2-methyl-4-pentenoic acid

    Assign.     Shift(ppm)

      A            11.4
      B             5.768
      C             5.09
      D             5.05
      E             2.553
      F     *1      2.444
      G     *1      2.209
      J             1.189

     Hz     ppm     Int.

   2326.95   5.823     52
   2319.80   5.805     77
   2316.87   5.798     57
   2313.03   5.788     58
   2309.91   5.780    134
   2302.77   5.762    140
   2299.66   5.755     65
   2295.81   5.745     65
   2292.51   5.737     92
   2285.73   5.720     67
   2045.05   5.118     81
   2043.59   5.114    171
   2041.76   5.109    194
   2040.29   5.106     96
   2028.02   5.075     98
   2026.19   5.070    298
   2025.09   5.068    262
   2024.54   5.066    269
   2023.26   5.063    164
   2017.03   5.047     96
   2015.93   5.045    171
   2015.01   5.042    151
   2014.10   5.040    147
   2013.00   5.037     80
   1032.14   2.583     90
   1025.18   2.566    188
   1018.22   2.548    208
   1011.26   2.531    122
   1004.49   2.514     32
    992.40   2.484     39
    991.11   2.480     58
    989.83   2.477     41
    985.62   2.467     60
    984.34   2.464     91
    983.05   2.460     64
    978.29   2.448     64
    977.19   2.446     93
    975.73   2.442     61
    971.70   2.432     81
    970.42   2.429    122
    968.95   2.425     87
    964.92   2.415     40
    963.64   2.412     58
    962.17   2.408     40
    896.97   2.245     45
    895.87   2.242     66
    894.59   2.239     47
    889.82   2.227     78
    888.72   2.224    119
    887.44   2.221     81
    882.86   2.210     69
    881.58   2.206    105
    880.48   2.204     73
    875.72   2.192     58
    874.62   2.189     90
    873.52   2.186     61
    868.76   2.174     30
    867.48   2.171     46
    866.19   2.168     32
    478.80   1.199   1000
    471.84   1.181    964

in CDCl3