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102-19-2

苯乙酸异戊酯(102-19-2)核磁图(13CNMR)

产品名称:苯乙酸异戊酯

CAS:102-19-2

分子式:C13H18O2

分子量: 206.28

InChI:InChI=1S/C13H18O2/c1-11(2)8-9-15-13(14)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3

InChIKey: QWBQBUWZZBUFHN-UHFFFAOYSA-N

Smiles:C1(CC(OCCC(C)C)=O)=CC=CC=C1

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    Mass

    MS-NW-5722          
    isopentyl phenylacetate
    C13H18O2            (Mass of molecular ion:    206)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          27.0       5.6
          28.0       1.1
          29.0       9.1
          39.0       7.6
          40.0       1.2
          41.0      13.3
          42.0       3.7
          43.0     100.0
          44.0       3.3
          50.0       1.0
          51.0       3.3
          55.0      12.4
          56.0       1.3
          57.0       2.2
          63.0       2.6
          64.0       1.0
          65.0      11.0
          69.0       2.8
          70.0      55.3
          71.0      23.5
          72.0       1.3
          77.0       4.2
          89.0       2.8
          90.0       2.9
          91.0      79.0
          92.0      18.6
          93.0       1.3
         105.0      14.6
         106.0       1.5
         118.0       1.1
         119.0       4.3
         136.0      21.1
         137.0       6.2
         206.0       1.4
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C13 H18 O2 0.04 ml : 0.5 ml CDCl3
    isopentyl phenylacetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.29 B 4.112 C 3.597 D 1.66 E 1.52 F 0.887

         Hz     ppm     Int.
    

        653.31   7.295    190
        651.88   7.279   1000
        375.13   4.189    109
        368.38   4.114    180
        361.75   4.040    102
        323.38   3.611    107
        322.19   3.598    437
        136.75   1.527    106
         82.13   0.918    537
         78.31   0.875     88
         76.31   0.853    440
         73.19   0.818     29
    

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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