99-86-5

松油烯(99-86-5)核磁图(¹³CNMR)

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

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

¹H NMR	399.65 MHz
C₁₀ H₁₆	0.05 ml : 0.5 ml CDCl₃
1,3-p-menthadiene

    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