591-87-7

乙酸烯丙酯(591-87-7)质谱(MS)

产品名称:乙酸烯丙酯

CAS:591-87-7

分子式:C5H8O2

分子量: 100.12

InChI:InChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3

InChIKey: FWZUNOYOVVKUNF-UHFFFAOYSA-N

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

Mass

MS-NW-0754          
allyl acetate
C5H8O2              (Mass of molecular ion:    100)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       5.1
      26.0       1.3
      27.0       2.9
      28.0       1.2
      29.0       1.1
      31.0       1.1
      38.0       1.4
      39.0      10.7
      40.0       2.8
      41.0      11.6
      43.0     100.0
      44.0       2.3
      57.0       1.7
      58.0      12.5
      61.0       3.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₈ O₂	10.2 mol% in CDCl₃
allyl acetate

    Assign.     Shift(ppm)

      A             5.901
      B             5.32
      C             5.23
      D             4.569
      E             2.078

     Hz     ppm     Int.

    535.56   5.980     31
    528.31   5.899     39
    524.00   5.851     34
    522.88   5.839     30
    518.31   5.788     52
    513.00   5.729     38
    485.94   5.426     30
    484.44   5.410     61
    484.06   5.405     58
    482.69   5.390     87
    481.25   5.374     45
    475.31   5.308     42
    474.13   5.294     76
    472.94   5.281     52
    472.31   5.274     53
    467.19   5.217     48
    465.44   5.197     59
    464.13   5.183     64
    462.88   5.169     38
    462.31   5.163     49
    413.31   4.615     92
    412.06   4.601    144
    410.75   4.587     89
    407.75   4.553     86
    406.50   4.539    138
    405.13   4.524     80
    186.25   2.080   1000

in CDCl3