123-20-6

正丁酸乙烯酯(123-20-6)紅外圖譜(IR1)

產(chǎn)品名稱:正丁酸乙烯酯

CAS:123-20-6

分子式:C6H10O2

分子量: 114.14

InChI:InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h4H,2-3,5H2,1H3

InChIKey: MEGHWIAOTJPCHQ-UHFFFAOYSA-N

Smiles:C(OC=C)(=O)CCC

Mass

MS-NW-1319          
vinyl butyrate
C6H10O2             (Mass of molecular ion:    114)

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

      14.0       1.1
      15.0       4.7
      26.0       2.3
      27.0      25.7
      28.0       1.6
      29.0       4.2
      39.0       7.0
      40.0       1.1
      41.0      28.9
      42.0       5.3
      43.0     100.0
      44.0       6.4
      45.0       1.1
      55.0       4.2
      57.0      17.8
      60.0       2.0
      69.0       1.1
      70.0       1.0
      71.0      64.3
      72.0       2.8
      73.0       1.0
      99.0       2.2
     114.0       2.1
     127.0       2.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₀ O₂	0.04 ml : 0.5 ml CDCl₃
vinyl butyrate

    Assign.     Shift(ppm)

      A             7.291
      B             4.875
      C             4.559
      D             2.369
      E             1.69
      F             0.98

     Hz     ppm     Int.

    663.50   7.409    288
    657.19   7.338    312
    649.56   7.253    324
    643.19   7.182    328
    444.00   4.958    329
    442.44   4.941    355
    430.00   4.802    286
    428.44   4.784    317
    412.13   4.602    347
    410.56   4.585    337
    405.75   4.531    346
    404.25   4.514    303
    220.63   2.464    205
    219.63   2.453    205
    213.06   2.379    359
    212.56   2.374    432
    205.94   2.300    330
    205.19   2.292    322
    163.63   1.828     86
    162.75   1.818    122
    155.75   1.740    259
    154.75   1.728    145
    148.69   1.661    183
    148.00   1.653    177
    147.56   1.648    222
    140.81   1.573    152
     95.00   1.061    275
     94.31   1.054    479
     87.44   0.977   1000
     86.81   0.970    520
     80.56   0.900    196
     79.75   0.891    306
     78.88   0.881    153

in CDCl3