554-61-0

2-CARENE(554-61-0)紅外圖譜(IR1)

產品名稱:2-CARENE

CAS:554-61-0

分子式:C10H16

分子量: 136.23

InChI:InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h6,8-9H,4-5H2,1-3H3

InChIKey: IBVJWOMJGCHRRW-UHFFFAOYSA-N

Smiles:C12C(C1(C)C)CCC(C)=C2

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-9408          
2-carene
C10H16              (Mass of molecular ion:    136)

   Source Temperature: 250 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0      10.6
      29.0       9.6
      39.0      16.4
      40.0       2.8
      41.0      22.4
      42.0       1.5
      43.0      21.4
      50.0       1.4
      51.0       6.0
      52.0       2.7
      53.0       9.4
      54.0       1.1
      55.0      10.0
      58.0       1.3
      59.0       1.5
      63.0       2.0
      65.0       7.4
      66.0       1.8
      67.0       9.3
      68.0       2.9
      69.0       2.0
      77.0      33.3
      78.0       5.3
      79.0      38.6
      80.0       8.4
      81.0       5.9
      82.0       1.4
      91.0      40.5
      92.0      12.5
      93.0     100.0
      94.0      10.9
      95.0       3.6
     103.0       2.7
     105.0      20.3
     106.0       5.4
     107.0      14.4
     108.0       6.3
     109.0       3.5
     115.0       1.1
     117.0       1.3
     119.0       6.4
     120.0       1.1
     121.0      90.4
     122.0       9.1
     123.0       1.1
     134.0       1.0
     135.0       1.4
     136.0      55.0
     137.0       6.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₆	0.05 ml : 0.5 ml CDCl₃
2-carene

    Assign.     Shift(ppm)

      A             5.543
      B     *1      1.93
      C     *2      1.82
      D     *2      1.69
      E             1.658
      F     *1      1.60
      G     *3      1.059
      J             0.943
      K     *3      0.854
      L             0.807

     Hz     ppm     Int.

   2219.48   5.554     39
   2218.26   5.551     68
   2216.67   5.547     75
   2215.21   5.543     73
   2213.75   5.540     77
   2212.28   5.536     68
   2210.82   5.532     40
    763.18   1.910     32
    756.96   1.895     35
    748.54   1.873     43
    742.80   1.859     35
    741.58   1.856     39
    734.99   1.840     67
    728.52   1.823     60
    727.54   1.821     81
    721.56   1.806     74
    719.85   1.802     33
    715.21   1.790     37
    712.52   1.783     34
    682.01   1.707     37
    679.32   1.700     35
    674.19   1.687     60
    671.39   1.680     46
    668.70   1.674     66
    663.57   1.661    397
    662.72   1.659    469
    661.25   1.655    381
    660.28   1.653    218
    657.10   1.645     52
    655.27   1.640     63
    648.56   1.623     38
    647.83   1.621     39
    638.55   1.598     37
    630.62   1.578     32
    423.22   1.059    888
    418.46   1.048     40
    384.16   0.962     43
    379.52   0.950     46
    375.24   0.939     55
    370.97   0.929     55
    341.55   0.855   1000
    337.89   0.846     51
    330.81   0.828     53
    328.13   0.822     63
    323.49   0.810     58
    320.80   0.803     64
    315.19   0.789     40
    312.26   0.782     37

in CDCl3