正己酸乙烯酯(含穩(wěn)定劑甲氧基氫醌)(3050-69-9)質(zhì)譜(MS)

產(chǎn)品名稱:正己酸乙烯酯(含穩(wěn)定劑甲氧基氫醌)

CAS:3050-69-9

分子式:C8H14O2

分子量: 142.2

InChI:InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h4H,2-3,5-7H2,1H3

InChIKey: LZWYWAIOTBEZFN-UHFFFAOYSA-N

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

Mass

MS-NW-4694          
vinyl hexanoate
C8H14O2             (Mass of molecular ion:    142)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       2.7
      26.0       1.6
      27.0      16.0
      28.0       1.3
      29.0      15.1
      39.0       6.9
      40.0       1.3
      41.0      19.1
      42.0       7.5
      43.0     100.0
      44.0       3.8
      53.0       1.1
      55.0      12.2
      56.0       1.3
      57.0       1.1
      58.0       1.6
      69.0       2.2
      70.0       1.2
      71.0      37.6
      72.0       2.2
      81.0       1.4
      86.0       3.3
      99.0      58.4
     100.0       4.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₄ O₂	0.04 ml : 0.5 ml CDCl₃
vinyl hexanoate

    Assign.     Shift(ppm)

      A             7.287
      B             4.870
      C             4.552
      D             2.37
      E             1.66
      F             1.33
      G             0.91

     Hz     ppm     Int.

    662.75   7.401    518
    656.44   7.330    558
    648.81   7.245    588
    642.50   7.174    600
    443.50   4.952    605
    441.94   4.935    639
    429.50   4.796    512
    428.00   4.779    582
    411.50   4.595    643
    409.94   4.578    600
    405.19   4.525    631
    403.63   4.507    552
    221.25   2.471    248
    220.25   2.460    252
    217.63   2.430     62
    213.56   2.385    672
    210.25   2.348     65
    206.50   2.306    477
    205.88   2.299    536
    163.63   1.828     64
    159.81   1.785     63
    158.31   1.768     83
    157.00   1.754    160
    155.19   1.733    150
    153.50   1.714    117
    152.94   1.708    116
    151.88   1.696    118
    150.25   1.678    197
    149.06   1.665    219
    148.06   1.654    198
    145.06   1.620    111
    143.50   1.603    157
    142.25   1.589    187
    141.31   1.578    151
    139.06   1.553     95
    137.75   1.539     86
    135.56   1.514    126
    134.75   1.505    104
    133.00   1.486     72
    131.81   1.472     99
    131.06   1.464     95
    129.63   1.448    119
    124.44   1.390    568
    121.50   1.357    485
    120.56   1.347    408
    119.13   1.331    399
    117.19   1.309    523
    114.06   1.274    281
    113.38   1.266    283
    110.25   1.232    227
    108.06   1.207     78
     89.50   1.000     86
     87.25   0.975    321
     86.56   0.967    334
     84.63   0.945    225
     80.94   0.904   1000
     75.00   0.838    242
     73.56   0.822    158
     72.00   0.804     68
     70.88   0.792     72

in CDCl3