丁酸乙酯(105-54-4)紅外圖譜(IR1)

產(chǎn)品名稱:丁酸乙酯

CAS:105-54-4

分子式:C6H12O2

分子量: 116.16

InChI:InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3

InChIKey: OBNCKNCVKJNDBV-UHFFFAOYSA-N

Smiles:C(OCC)(=O)CCC

Mass

MS-NW-0441          
ethyl butyrate
C6H12O2             (Mass of molecular ion:    116)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      14.0       1.1
      15.0       5.0
      18.0       2.1
      26.0       4.8
      27.0      42.0
      28.0       9.1
      29.0      65.2
      30.0       1.5
      31.0       2.7
      38.0       1.3
      39.0      12.0
      40.0       2.1
      41.0      29.0
      42.0      12.2
      43.0      99.5
      44.0       3.6
      45.0      18.7
      55.0       3.8
      57.0       1.3
      60.0      21.9
      61.0       9.8
      70.0       8.3
      71.0     100.0
      72.0       4.6
      73.0      18.5
      88.0      51.5
      89.0      14.0
     101.0       7.5
     116.0       4.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₂ O₂	0.04 ml : 0.5 ml CDCl₃
ethyl butyrate

    Assign.     Shift(ppm)

      A             4.126
      B             2.27
      C             1.65
      D             1.256
      E             0.96

     Hz     ppm     Int.

    380.63   4.251    103
    373.38   4.170    340
    366.25   4.090    354
    359.19   4.011    120
    211.81   2.366     88
    210.75   2.354     99
    203.75   2.276    204
    197.06   2.201    165
    196.31   2.192    176
    166.50   1.860     34
    159.94   1.786     59
    159.06   1.777     77
    153.06   1.710     56
    152.06   1.698    150
    151.06   1.687     79
    150.50   1.681     55
    145.06   1.620    102
    144.31   1.612     98
    143.81   1.606    124
    138.56   1.548     33
    137.19   1.532     90
    136.69   1.527     66
    130.44   1.457     34
    119.38   1.333    453
    112.38   1.255   1000
    105.13   1.174    396
     92.63   1.035    146
     91.94   1.027    272
     85.06   0.950    584
     84.38   0.943    283
     78.31   0.875     92
     77.44   0.865    160
     76.44   0.854     82

in CDCl3