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99-85-4

γ-松油烯(99-85-4)质谱(MS)

产品名称:γ-松油烯

CAS:99-85-4

分子式:C10H16

分子量: 136.23

InChI:InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3

InChIKey: YKFLAYDHMOASIY-UHFFFAOYSA-N

Smiles:C1(C)CC=C(C(C)C)CC=1

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    Mass

    MS-NW-9657          
    1,4-p-menthadiene
    C10H16              (Mass of molecular ion:    136)
    

       Source Temperature: 260 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       5.2
          29.0       2.6
          39.0       6.9
          40.0       1.0
          41.0      10.0
          43.0      17.6
          51.0       4.1
          52.0       1.7
          53.0       4.1
          55.0       2.8
          58.0       1.1
          63.0       1.6
          65.0       5.2
          67.0       2.6
          77.0      28.2
          78.0       4.3
          79.0      18.6
          80.0       7.8
          81.0       2.1
          91.0      37.3
          92.0      21.5
          93.0     100.0
          94.0       9.6
         103.0       2.2
         105.0       9.8
         106.0       2.3
         107.0       7.3
         108.0       1.3
         115.0       1.5
         117.0       1.7
         119.0       8.7
         120.0       1.1
         121.0      30.4
         122.0       3.0
         134.0       1.9
         136.0      35.9
         137.0       4.2
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C10 H16 0.05 ml : 0.5 ml CDCl3
    1,4-p-menthadiene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.43 B 2.60 C 2.20 D 1.663 E 1.014

         Hz     ppm     Int.
    

        486.81   5.436    182
        485.56   5.422    172
        232.63   2.598    475
        204.06   2.279     39
        203.75   2.276     39
        197.13   2.202     50
        196.94   2.199     50
        190.31   2.125     44
        149.06   1.665    404
         93.94   1.049   1000
         87.19   0.974    817
    

in CDCl3

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liquid film

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