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109-21-7

丁酸丁酯(109-21-7)核磁图(1HNMR)

产品名称:丁酸丁酯

CAS:109-21-7

分子式:C8H16O2

分子量: 144.21

InChI:InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3

InChIKey: XUPYJHCZDLZNFP-UHFFFAOYSA-N

Smiles:C(OCCCC)(=O)CCC

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    Mass

    MS-NW-0909          
    butyl butyrate
    C8H16O2             (Mass of molecular ion:    144)
    

       Source Temperature: 280 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.1
          26.0       1.4
          27.0      18.2
          28.0       5.7
          29.0      21.0
          31.0       1.7
          39.0       8.4
          40.0       1.6
          41.0      34.7
          42.0       4.6
          43.0      57.1
          44.0       1.9
          45.0       1.2
          55.0       7.5
          56.0      49.9
          57.0      18.4
          60.0      10.3
          61.0       1.8
          70.0       1.2
          71.0     100.0
          72.0       4.9
          73.0       7.3
          88.0       4.8
          89.0      46.2
          90.0       2.1
         101.0       4.9
         116.0       1.4
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H16 O2 0.04 ml : 0.5 ml CDCl3
    butyl butyrate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.075 B 2.271 C 1.69 D 1.56 E 1.40 F *1 0.95 G *1 0.94

         Hz     ppm     Int.
    

        371.50   4.149    187
        365.00   4.076    513
        358.56   4.004    261
        212.19   2.370    150
        211.13   2.358    157
        204.13   2.280    317
        197.44   2.205    269
        196.69   2.197    271
        166.56   1.860     54
        159.94   1.786    104
        159.06   1.777    126
        158.69   1.772    116
        157.81   1.763     63
        153.19   1.711    124
        152.13   1.699    299
        151.06   1.687    177
        150.50   1.681    129
        149.56   1.670     82
        147.81   1.651     52
        145.06   1.620    282
        144.31   1.612    246
        143.81   1.606    283
        139.25   1.555    166
        138.56   1.548    183
        137.19   1.532    265
        133.38   1.490    157
        132.00   1.474    105
        130.38   1.456     81
        129.94   1.451     88
        129.25   1.444     85
        127.56   1.425    110
        125.88   1.406    104
        122.06   1.363    101
        119.06   1.330    104
        117.25   1.310     50
        115.69   1.292     47
        112.69   1.259     87
        111.31   1.243     45
         92.56   1.034    221
         91.88   1.026    470
         91.25   1.019    401
         90.38   1.010    291
         89.50   1.000    261
         87.19   0.974     51
         86.81   0.970     46
         85.00   0.950   1000
         83.81   0.936    827
         82.19   0.918    226
         78.25   0.874    206
         77.38   0.865    346
         76.31   0.853    271
         74.31   0.830     73
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,200 M,liquid

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