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99-86-5

松油烯(99-86-5)Raman光谱

产品名称:松油烯

CAS:99-86-5

分子式:C10H16

分子量: 136.23

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

InChIKey: YHQGMYUVUMAZJR-UHFFFAOYSA-N

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

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    Mass

    MS-NW-9574          
    1,3-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       4.3
          39.0       7.7
          40.0       1.1
          41.0      11.3
          43.0      14.9
          50.0       1.0
          51.0       4.6
          52.0       2.1
          53.0       4.9
          55.0       5.9
          57.5       1.1
          58.0       1.9
          59.0       1.6
          60.5       1.0
          63.0       1.8
          65.0       5.6
          66.0       1.1
          67.0       4.7
          68.0       4.0
          69.0       2.0
          71.0       1.9
          77.0      24.1
          78.0       4.3
          79.0      22.6
          80.0       6.2
          81.0       4.2
          91.0      31.3
          92.0      11.3
          93.0      90.7
          94.0       9.3
          95.0       1.8
         103.0       2.8
         104.0       1.2
         105.0      16.3
         106.0       4.2
         107.0      11.9
         108.0       4.7
         109.0       1.1
         111.0       1.7
         115.0       1.8
         117.0       2.4
         119.0      17.7
         120.0       2.6
         121.0     100.0
         122.0      10.1
         134.0       4.0
         135.0       1.3
         136.0      53.0
         137.0       6.0
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C10 H16 0.05 ml : 0.5 ml CDCl3
    1,3-p-menthadiene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.618 B 5.585 C 2.277 D 2.09 E 1.765 F 1.022

         Hz     ppm     Int.
    

       2250.12   5.631     51
       2248.78   5.627     54
       2247.31   5.624     48
       2245.97   5.620     64
       2244.75   5.617     95
       2243.29   5.614     99
       2241.94   5.610     62
       2233.64   5.589    112
       2228.27   5.576     59
        923.71   2.312     38
        917.11   2.295     44
        910.28   2.278     59
        903.56   2.261     46
        853.88   2.137     37
        844.97   2.115    106
        844.36   2.113    109
        839.11   2.100    240
        835.82   2.092    212
        830.57   2.079     94
        829.83   2.077     98
        820.31   2.053     35
        705.32   1.765    421
        412.11   1.032   1000
        405.27   1.015    978
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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