乙酸丁酯(123-86-4)核磁圖(¹³CNMR)

產(chǎn)品名稱:乙酸丁酯

CAS:123-86-4

分子式:C6H12O2

分子量: 116.16

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

InChIKey: DKPFZGUDAPQIHT-UHFFFAOYSA-N

Smiles:C(OCCCC)(=O)C

Mass

MS2014-05093CW      
butyl acetate
C6H12O2             (Mass of molecular ion:    116)

   Source Temperature: 250 °C
   Sample Temperature: 250 °C
   Reservoir, 70 eV

      15.0       2.2
      27.0       5.4
      28.0       9.7
      29.0       5.9
      31.0       1.2
      32.0       2.6
      39.0       4.7
      40.0       1.2
      41.0      16.6
      42.0       2.6
      43.0     100.0
      44.0       2.7
      55.0       9.3
      56.0      49.4
      57.0       4.9
      58.0       2.1
      61.0      17.8
      71.0       2.5
      73.0      25.4
      74.0       1.0
      86.0       1.7
      87.0       2.8

in CDCl3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₂ O₂	0.04 ml : 0.5 ml CDCl₃
butyl acetate

    Assign.     Shift(ppm)

      A             4.062
      B             2.038
      C             1.60
      D             1.39
      E             0.943

     Hz     ppm     Int.

    370.63   4.139     69
    364.19   4.067    176
    357.69   3.994     94
    182.63   2.040   1000
    145.25   1.622     44
    143.00   1.597     33
    139.31   1.556     50
    138.75   1.550     50
    137.44   1.535     44
    133.44   1.490     54
    132.06   1.475     36
    127.56   1.425     37
    125.88   1.406     37
    122.13   1.364     36
    119.13   1.331     38
    112.69   1.259     32
     91.31   1.020     52
     90.44   1.010     90
     89.56   1.000     85
     83.81   0.936    214
     82.31   0.920     59
     77.69   0.868     30
     76.31   0.853     43

in CDCl3