142-92-7

乙酸己酯(142-92-7)质谱(MS)

产品名称:乙酸己酯

CAS:142-92-7

分子式:C8H16O2

分子量: 144.21

InChI:InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3

InChIKey: AOGQPLXWSUTHQB-UHFFFAOYSA-N

Smiles:C(OCCCCCC)(=O)C

Mass

MS-NW-0667          
hexyl acetate
C8H16O2             (Mass of molecular ion:    144)

   Source Temperature: 280 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       5.0
      18.0       2.2
      27.0       9.1
      28.0       1.8
      29.0       9.3
      31.0       1.6
      39.0       5.6
      40.0       1.3
      41.0      20.2
      42.0      22.5
      43.0     100.0
      44.0       3.6
      53.0       1.1
      54.0       2.1
      55.0      29.3
      56.0      57.4
      57.0       4.1
      58.0       4.0
      61.0      24.7
      67.0       1.1
      69.0      17.0
      70.0       1.8
      71.0       1.2
      73.0      11.4
      82.0       1.1
      83.0       3.7
      84.0      21.5
      85.0       1.7
      87.0       1.3
     101.0       1.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₆ O₂	0.04 ml : 0.5 ml CDCl₃
hexyl acetate

    Assign.     Shift(ppm)

      A             4.05
      B             2.039
      C             1.62
      D             1.31
      E             0.90

     Hz     ppm     Int.

    369.75   4.129     67
    363.19   4.056    178
    356.75   3.984    101
    182.63   2.040   1000
    145.19   1.622     39
    143.75   1.606     33
    139.44   1.557     32
    139.13   1.554     32
    138.31   1.545     30
    138.00   1.541     30
    137.25   1.533     30
    127.69   1.426     38
    127.13   1.420     39
    124.81   1.394     50
    124.19   1.387     52
    121.31   1.355     99
    119.31   1.333    141
    117.94   1.317    152
    116.94   1.306    154
    115.38   1.289    141
     85.56   0.956     52
     83.00   0.927     42
     82.88   0.926     42
     80.06   0.894    174
     74.13   0.828     32

in CDCl3