1838-59-1

甲酸烯丙酯(1838-59-1)核磁圖(¹HNMR)

產(chǎn)品名稱:甲酸烯丙酯

CAS:1838-59-1

分子式:C4H6O2

分子量: 86.09

InChI:InChI=1S/C4H6O2/c1-2-3-6-4-5/h2,4H,1,3H2

InChIKey: ZHHZHHSFKCANOC-UHFFFAOYSA-N

Smiles:C(OCC=C)=O

Mass

MS-NW-2190          
allyl formate
C4H6O2              (Mass of molecular ion:     86)

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

      15.0       2.6
      18.0       2.5
      26.0       5.8
      27.0      15.8
      28.0      10.7
      29.0      25.6
      30.0      11.8
      31.0      24.9
      37.0       2.6
      38.0       5.3
      39.0      45.3
      40.0      18.0
      41.0      26.8
      42.0       1.3
      43.0       3.6
      44.0       1.9
      45.0       1.0
      46.0       1.1
      47.0       2.6
      55.0       2.8
      57.0     100.0
      58.0      24.9
      59.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₄ H₆ O₂	0.02 ml : 0.5 ml CDCl₃
allyl formate

    Assign.     Shift(ppm)

      A             8.09
      B             5.93
      C             5.37
      D             5.28
      E             4.67

     Hz     ppm     Int.

    724.63   8.092   1000
    720.06   8.040     43
    719.50   8.034     40
    552.50   6.170    103
    546.81   6.106    135
    542.31   6.056    133
    541.25   6.044     92
    540.88   6.040     91
    540.25   6.033     70
    536.75   5.994    168
    535.25   5.977    186
    533.31   5.955     30
    533.00   5.952     30
    530.94   5.929    114
    529.56   5.913    236
    527.00   5.885     35
    525.19   5.865    238
    524.13   5.853    155
    521.88   5.828     32
    519.50   5.801    316
    517.63   5.780     34
    517.19   5.775     30
    514.19   5.742    184
    489.25   5.463    179
    487.81   5.447    425
    486.19   5.429    581
    484.81   5.414    285
    482.75   5.391     66
    481.75   5.380     66
    481.31   5.375     70
    479.25   5.352    215
    478.69   5.345    294
    477.56   5.333    537
    476.38   5.320    378
    475.88   5.314    360
    474.75   5.301    191
    473.69   5.290     63
    472.13   5.272    158
    470.69   5.256    307
    469.00   5.237    341
    467.50   5.220    430
    466.94   5.214    280
    465.88   5.202    424
    464.69   5.189    259
    461.50   5.153     34
    461.13   5.149     33
    460.56   5.143     30
    422.44   4.717    377
    421.44   4.706    776
    420.31   4.694    746
    419.13   4.680    443
    416.88   4.655    378
    415.75   4.643    733
    414.75   4.631    712
    413.44   4.617    426
    410.81   4.587     72
    409.81   4.576     56
    408.38   4.560     43
    407.63   4.552     35

in CDCl3