戊酸乙酯(539-82-2)紅外圖譜(IR1)

產(chǎn)品名稱:戊酸乙酯

CAS:539-82-2

分子式:C7H14O2

分子量: 130.18

InChI:InChI=1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3

InChIKey: ICMAFTSLXCXHRK-UHFFFAOYSA-N

Smiles:C(OCC)(=O)CCCC

Mass

MS-NW-4697          
ethyl valerate
C7H14O2             (Mass of molecular ion:    130)

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

      15.0       3.1
      18.0       1.7
      26.0       4.2
      27.0      31.9
      28.0      12.7
      29.0     100.0
      30.0       2.7
      31.0       2.7
      39.0      10.3
      40.0       1.6
      41.0      41.1
      42.0       8.2
      43.0       9.9
      44.0       2.2
      45.0      21.9
      53.0       1.6
      55.0      12.0
      56.0       8.7
      57.0      82.6
      58.0       4.3
      59.0       3.0
      60.0      50.8
      61.0      25.9
      62.0       1.1
      70.0      18.0
      71.0       1.3
      73.0      28.2
      74.0       3.6
      75.0       1.2
      83.0       2.4
      84.0       1.9
      85.0      96.3
      86.0       5.6
      87.0       3.5
      88.0      91.3
      89.0       4.6
     101.0      25.1
     102.0       3.5
     103.0      10.1
     115.0       2.3
     130.0       1.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₁₄ O₂	0.04 ml : 0.5 ml CDCl₃
ethyl valerate

    Assign.     Shift(ppm)

      A             0.92
      B             1.255
      C          1.15 to 1.82
      D             2.29
      E             4.122

     Hz     ppm     Int.

    380.13   4.245    104
    372.88   4.164    342
    365.75   4.084    359
    358.69   4.006    123
    213.44   2.384     65
    212.50   2.373     73
    205.75   2.298    176
    198.44   2.216    139
    152.50   1.703     65
    145.56   1.626     62
    144.50   1.614     69
    143.75   1.606     63
    137.50   1.536     87
    137.19   1.532     87
    131.00   1.463     90
    124.81   1.394     66
    123.06   1.375     65
    119.19   1.331    495
    116.69   1.303     80
    112.13   1.253   1000
    110.38   1.233    101
    104.94   1.172    404
    103.69   1.158     64
    103.56   1.157     64
     89.38   0.998     99
     88.44   0.988    170
     87.81   0.981    161
     82.00   0.916    356
     80.81   0.903    145
     74.63   0.834     83

in CDCl3