丙烯酸正丁酯(141-32-2)核磁圖(¹³CNMR)

產(chǎn)品名稱:丙烯酸正丁酯

CAS:141-32-2

分子式:C7H12O2

分子量: 128.17

InChI:InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3

InChIKey: CQEYYJKEWSMYFG-UHFFFAOYSA-N

Smiles:C(OCCCC)(=O)C=C

Mass

MS-NW-5515          
butyl acrylate
C7H12O2             (Mass of molecular ion:    128)

   Source Temperature: 240 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      26.0       3.1
      27.0      24.9
      28.0       4.6
      29.0      10.6
      31.0       2.3
      39.0       4.1
      41.0      17.8
      42.0       1.5
      43.0       3.0
      55.0     100.0
      56.0      51.4
      57.0       5.0
      68.0       1.5
      69.0       1.5
      70.0       1.5
      73.0      36.8
      74.0       1.4
      85.0       7.2
      99.0       1.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₁₂ O₂	12.2 mol% in CDCl₃
butyl acrylate

    Assign.     Shift(ppm)

      A             0.96
      B             1.41
      C             1.65
      D             4.158
      E             5.795
      F             6.108
      G             6.364
     
     J(E,F):9.6 HZ
     J(F,G):16.8 HZ
     J(E,G):2.7 HZ

     Hz     ppm     Int.

    584.44   6.526    158
    581.69   6.495    195
    567.56   6.338    625
    564.81   6.307    660
    561.31   6.268     52
    559.19   6.244    533
    549.50   6.136    746
    546.75   6.105     61
    542.31   6.056     60
    532.63   5.948    330
    524.25   5.854    546
    521.50   5.823    519
    518.75   5.793     33
    518.31   5.788     32
    518.00   5.784     30
    517.38   5.777     31
    514.63   5.747    301
    511.81   5.715    252
    379.25   4.235    374
    372.88   4.164    939
    366.38   4.091    515
    164.00   1.832     32
    162.13   1.811     52
    155.75   1.740    142
    153.56   1.715    113
    151.56   1.693     94
    149.13   1.666    282
    147.00   1.642    197
    142.25   1.589    327
    139.94   1.563    223
    136.13   1.520    290
    133.06   1.486    104
    131.63   1.470    182
    130.06   1.453    231
    128.31   1.433    226
    124.38   1.389    196
    121.50   1.357    221
    119.88   1.339    126
    118.94   1.329    101
    118.13   1.320    105
    115.06   1.285    190
    111.63   1.247     44
    111.19   1.242     43
    110.25   1.232     46
    108.56   1.213     87
    104.69   1.169     31
     91.19   1.019    504
     84.75   0.947   1000
     78.56   0.878    219
     77.31   0.864    254
     75.44   0.843    141
     72.81   0.813     44

in CDCl3