6485-40-1

左旋香芹酮(6485-40-1)核磁图(¹HNMR)

产品名称:左旋香芹酮

CAS:6485-40-1

分子式:C10H14O

分子量: 150.22

InChI:InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1

InChIKey: ULDHMXUKGWMISQ-SECBINFHSA-N

Smiles:C1(=O)C[C@H](C(C)=C)CC=C1C

Mass

MS-NW-4053          
(R)-(-)-6,8-p-menthadien-2-one
C10H14O             (Mass of molecular ion:    150)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      26.0       1.0
      27.0      11.3
      28.0       2.0
      29.0       3.3
      38.0       1.7
      39.0      24.9
      40.0       4.2
      41.0      18.5
      42.0       1.4
      43.0       1.4
      50.0       2.2
      51.0       4.7
      52.0       2.8
      53.0      13.4
      54.0      47.6
      55.0       4.4
      58.0       7.6
      63.0       1.4
      65.0       3.8
      66.0       1.9
      67.0       7.9
      68.0       2.3
      69.0       3.5
      77.0       6.7
      78.0       1.9
      79.0      10.8
      80.0       5.5
      81.0       3.1
      82.0     100.0
      83.0       5.6
      91.0       8.8
      92.0       4.9
      93.0      26.5
      94.0       6.0
      95.0       3.3
     105.0       2.4
     106.0      11.4
     107.0      16.8
     108.0      31.9
     109.0       4.2
     119.0       1.0
     121.0       1.6
     122.0       1.9
     135.0       3.3
     150.0       6.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₄ O	0.05 ml : 0.5 ml CDCl₃
(R)-(-)-6,8-p-menthadien-2-one

    Assign.     Shift(ppm)

      A             6.766
      B     *1      4.808
      C     *1      4.761
      D             2.687
      E             2.574
      F             2.449
      G             2.353
      J             2.303
      K             1.784
      L             1.756
     
     ASSIGNED BY C-H COSY.

     Hz     ppm     Int.

   2708.86   6.779    110
   2707.52   6.775    139
   2706.30   6.772    142
   2704.83   6.768    133
   2703.00   6.764    132
   2701.54   6.760    138
   2700.32   6.757    133
   2698.97   6.754    103
   2697.63   6.750     46
   1923.10   4.812    225
   1922.61   4.811    230
   1921.75   4.809    314
   1920.29   4.805    238
   1907.10   4.772     31
   1903.08   4.762    322
   1902.34   4.761    316
   1086.55   2.719     50
   1079.71   2.702     39
   1076.29   2.694     75
   1072.63   2.684     78
   1069.58   2.677     46
   1067.02   2.670     41
   1062.62   2.659     66
   1058.35   2.649     42
   1040.53   2.604    109
   1038.94   2.600    119
   1036.74   2.595     98
   1035.16   2.591     96
   1024.54   2.564    149
   1022.95   2.560    162
   1020.75   2.555    131
   1019.17   2.551    132
    994.87   2.490     42
    991.82   2.482     44
    990.48   2.479     62
    989.01   2.475     63
    987.55   2.472     43
    984.50   2.464     40
    978.03   2.448     54
    976.68   2.444     73
    975.22   2.441     64
    973.63   2.437     74
    972.17   2.433    106
    970.83   2.430    106
    969.36   2.426     73
    967.77   2.422     59
    966.31   2.418     64
    964.97   2.415     46
    953.98   2.388    246
    940.80   2.355    208
    937.99   2.348    186
    932.25   2.333     76
    929.69   2.327    110
    927.12   2.320     85
    924.68   2.314    174
    921.51   2.306     68
    918.95   2.300     91
    916.38   2.293     74
    913.94   2.287     60
    911.50   2.281     60
    908.94   2.275     43
    900.76   2.254     52
    725.46   1.816     35
    724.24   1.813     39
    723.39   1.811     40
    723.02   1.810     40
    715.70   1.791    539
    714.36   1.788    816
    713.13   1.785    783
    711.79   1.782    752
    710.45   1.778    442
    701.78   1.756   1000

in CDCl3