10031-87-5

2-乙基乙酸丁酯(10031-87-5)质谱(MS)

产品名称:2-乙基乙酸丁酯

CAS:10031-87-5

分子式:C8H16O2

分子量: 144.21

InChI:InChI=1S/C8H16O2/c1-4-8(5-2)6-10-7(3)9/h8H,4-6H2,1-3H3

InChIKey: HQLKZWRSOHTERR-UHFFFAOYSA-N

Smiles:C(OCC(CC)CC)(=O)C

Mass

MS-NW-1358          
2-ethylbutyl acetate
C8H16O2             (Mass of molecular ion:    144)

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

      15.0       4.6
      18.0       1.0
      27.0       8.0
      28.0       1.9
      29.0       8.6
      31.0       1.9
      39.0       4.4
      41.0      12.7
      42.0       8.7
      43.0     100.0
      44.0       2.4
      45.0       1.3
      53.0       1.1
      54.0       1.1
      55.0      22.7
      56.0      16.4
      57.0       1.8
      59.0       1.4
      61.0       3.6
      69.0      22.4
      70.0       6.1
      71.0       6.4
      72.0       2.0
      73.0      13.7
      74.0      12.8
      75.0       1.9
      83.0       1.0
      84.0      37.5
      85.0       3.2
      86.0       4.7
     115.0       1.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₆ O₂	0.04 ml : 0.5 ml CDCl₃
2-ethylbutyl acetate

    Assign.     Shift(ppm)

      A             3.991
      B             2.047
      C             1.45
      D             1.32
      E             0.90

     Hz     ppm     Int.

    360.13   4.022    144
    354.75   3.962    139
    183.31   2.047   1000
    134.88   1.507     30
    132.44   1.479     30
    127.75   1.427    114
    125.63   1.403     48
    122.56   1.369     65
    121.13   1.353     89
    120.25   1.343    112
    118.50   1.324     43
    115.25   1.287     81
    113.38   1.266     66
    108.38   1.211     47
     87.69   0.980    116
     86.63   0.968    160
     82.38   0.920     32
     80.25   0.897    496
     78.19   0.874     95
     73.81   0.825     69
     72.63   0.811     71
     70.75   0.790     48

in CDCl3