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2499-95-8

丙烯酸己酯(2499-95-8)核磁图(1HNMR)

产品名称:丙烯酸己酯

CAS:2499-95-8

分子式:C9H16O2

分子量: 156.22

InChI:InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h4H,2-3,5-8H2,1H3

InChIKey: LNMQRPPRQDGUDR-UHFFFAOYSA-N

Smiles:C(OCCCCCC)(=O)C=C

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    Mass

    MS-IW-4783          
    hexyl acrylate
    C9H16O2             (Mass of molecular ion:    156)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          26.0       2.3
          27.0      20.2
          28.0       3.1
          29.0       8.4
          31.0       1.2
          39.0       4.9
          40.0       1.0
          41.0      19.9
          42.0      22.4
          43.0      26.9
          44.0       1.5
          53.0       1.6
          54.0       3.1
          55.0     100.0
          56.0      69.3
          57.0       6.7
          67.0       1.8
          68.0       1.1
          69.0      24.6
          70.0       4.7
          71.0       1.5
          73.0      49.3
          74.0       2.2
          82.0       1.5
          83.0       6.3
          84.0      46.2
          85.0       7.0
          96.0       1.2
          97.0       1.4
          98.0       1.1
          99.0       1.8
         113.0       1.9
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C9 H16 O2 0.05 ml : 0.5 ml CDCl3
    hexyl acrylate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.395 B 6.126 C 5.812 D 4.153 E 1.665 F 1.38 G 1.32 J 0.896

         Hz     ppm     Int.
    

       2566.89   6.423    333
       2565.31   6.419    336
       2549.56   6.380    458
       2547.97   6.376    461
       2461.30   6.159    404
       2450.93   6.133    468
       2443.97   6.116    303
       2433.59   6.090    347
       2328.49   5.827    420
       2327.03   5.823    412
       2318.12   5.801    363
       2316.53   5.797    361
       1666.87   4.171    491
       1660.16   4.155   1000
       1653.32   4.137    531
        680.91   1.704     61
        673.95   1.687    199
        667.24   1.670    264
        659.30   1.650    251
        652.59   1.633    105
        564.33   1.413     44
        557.50   1.395    118
        556.15   1.392    109
        550.29   1.377    159
        546.63   1.368    133
        545.29   1.365    128
        543.33   1.360    137
        541.99   1.357    175
        538.94   1.349    129
        536.38   1.343    179
        530.88   1.329    451
        527.22   1.320    463
        524.29   1.312    454
        520.39   1.303    266
        516.48   1.293    161
        512.70   1.283     53
        510.99   1.279     39
        508.91   1.274     35
        505.00   1.264     61
        364.99   0.914    294
        357.91   0.896    974
        351.07   0.879    326
    

in CDCl3

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liquid film

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