3681-71-8

乙酸叶醇酯(3681-71-8)核磁图(¹³CNMR)

产品名称:乙酸叶醇酯

CAS:3681-71-8

分子式:C8H14O2

分子量: 142.2

InChI:InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-

InChIKey: NPFVOOAXDOBMCE-PLNGDYQASA-N

Smiles:C(OC(=O)C)C/C=C\CC

Mass

MS-NW-8680          
cis-3-hexenyl acetate
C8H14O2             (Mass of molecular ion:    142)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      15.0       2.8
      27.0       4.5
      28.0       1.3
      29.0       3.0
      39.0       6.1
      40.0       1.1
      41.0      13.6
      42.0       2.6
      43.0     100.0
      44.0       2.4
      53.0       2.7
      54.0       5.9
      55.0       5.9
      65.0       1.0
      67.0      61.4
      68.0       4.0
      69.0       2.2
      73.0       3.7
      81.0       5.0
      82.0      45.0
      83.0       4.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₄ O₂	0.04 ml : 0.5 ml CDCl₃
cis-3-hexenyl acetate

    Assign.     Shift(ppm)

      A          5.70 to 5.14
      B             4.061
      C             2.376
      D             2.06
      E             2.044
      F             0.978

     Hz     ppm     Int.

    496.56   5.545     26
    489.44   5.465     64
    486.25   5.430     41
    484.88   5.415     50
    483.56   5.400     41
    480.38   5.364     62
    370.88   4.142    104
    363.94   4.064    224
    357.06   3.987    122
    222.56   2.486     35
    216.06   2.413     90
    209.31   2.338     88
    202.63   2.263     34
    192.13   2.146     49
    183.06   2.044   1000
    178.06   1.989     54
    177.56   1.983     54
     94.31   1.054    166
     87.06   0.973    324
     79.38   0.887    118

in CDCl3