2051-78-7

丁酸烯丙酯(2051-78-7)核磁图(¹HNMR)

产品名称:丁酸烯丙酯

CAS:2051-78-7

分子式:C7H12O2

分子量: 128.17

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

InChIKey: RMZIOVJHUJAAEY-UHFFFAOYSA-N

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

Mass

MS-NW-3743          
allyl butyrate
C7H12O2             (Mass of molecular ion:    128)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       2.6
      26.0       1.9
      27.0      17.6
      28.0       2.4
      29.0       3.6
      31.0       1.4
      38.0       1.6
      39.0      16.7
      40.0       3.2
      41.0      57.3
      42.0       5.9
      43.0      85.4
      44.0       3.1
      45.0       3.4
      55.0       3.3
      57.0       7.6
      58.0       1.9
      60.0       1.2
      68.0       1.1
      69.0       1.2
      70.0       1.6
      71.0     100.0
      72.0       5.2
      89.0       2.7
     100.0       2.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₁₂ O₂	0.04 ml : 0.5 ml CDCl₃
allyl butyrate

    Assign.     Shift(ppm)

      A             5.906
      B             5.32
      C             5.23
      D             4.578
      E             2.310
      F             1.667
      G             0.963

     Hz     ppm     Int.

    551.25   6.156     46
    545.56   6.092     80
    541.13   6.043     59
    540.06   6.031     52
    535.50   5.980     93
    534.00   5.963     81
    530.13   5.920     64
    528.31   5.899    123
    523.94   5.851    106
    522.88   5.839     94
    518.25   5.787    164
    512.94   5.728    127
    485.44   5.421     80
    483.94   5.404    197
    483.50   5.399    157
    482.13   5.384    276
    480.75   5.368    129
    474.38   5.297    114
    473.19   5.284    241
    472.44   5.276    117
    472.00   5.271    149
    471.38   5.264    159
    470.25   5.251     77
    468.25   5.229     63
    466.69   5.211    139
    464.88   5.191    128
    463.19   5.172    166
    462.56   5.165     95
    461.94   5.158    109
    461.38   5.152    146
    460.19   5.139     78
    414.00   4.623    264
    412.81   4.610    429
    411.44   4.595    252
    408.50   4.562    231
    407.19   4.547    412
    405.81   4.532    237
    215.69   2.409    177
    214.69   2.398    176
    207.69   2.320    380
    206.00   2.301     48
    201.00   2.245    319
    200.31   2.237    290
    168.06   1.877     57
    161.44   1.803     99
    160.56   1.793    130
    153.56   1.715    267
    152.56   1.704    144
    146.56   1.637    189
    145.81   1.629    182
    145.31   1.623    220
    140.00   1.564     62
    138.69   1.549    163
    131.88   1.473     54
     93.31   1.042    251
     92.63   1.035    490
     87.31   0.975     36
     85.69   0.957   1000
     85.06   0.950    546
     78.88   0.881    175
     78.06   0.872    293
     77.06   0.861    135

in CDCl3