5949-05-3

(-)-香茅醛(5949-05-3)质谱(MS)

产品名称:(-)-香茅醛

CAS:5949-05-3

分子式:C10H18O

分子量: 154.25

¹HNMR

IR1

Raman

Mass

MS-IW-9053          
(S)-3,7-dimethyl-6-octenal
C10H18O             (Mass of molecular ion:    154)

   Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.3
      18.0       3.4
      27.0      19.2
      28.0       5.5
      29.0      18.6
      31.0       1.1
      39.0      23.5
      40.0       4.8
      41.0     100.0
      42.0      10.5
      43.0      29.3
      44.0       2.2
      50.0       1.1
      51.0       3.5
      52.0       1.7
      53.0      12.8
      54.0       3.7
      55.0      53.9
      56.0      31.9
      57.0      12.3
      58.0       2.4
      59.0       4.8
      63.0       1.1
      65.0       3.9
      66.0       1.7
      67.0      26.8
      68.0      16.8
      69.0      98.6
      70.0      18.0
      71.0      18.5
      72.0       4.6
      73.0       1.0
      77.0       6.7
      78.0       1.4
      79.0      12.3
      80.0       5.2
      81.0      24.6
      82.0       9.7
      83.0      19.0
      84.0      20.4
      85.0       5.4
      86.0       1.1
      91.0       7.7
      92.0       3.1
      93.0      22.5
      94.0       6.1
      95.0      49.8
      96.0       7.3
      97.0      14.1
      98.0      10.8
      99.0       1.8
     105.0       3.2
     107.0       7.1
     108.0       2.5
     109.0      16.7
     110.0      19.4
     111.0      21.9
     112.0      18.9
     113.0       1.7
     117.0       1.1
     119.0      11.6
     120.0       1.3
     121.0      32.1
     122.0       3.6
     123.0       4.9
     125.0       2.0
     134.0       3.4
     135.0       1.0
     136.0      17.6
     137.0       2.6
     138.0       1.4
     139.0      11.2
     140.0       1.2
     154.0      14.3
     155.0       1.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₈ O	0.05 ml : 0.5 ml CDCl₃
(S)-3,7-dimethyl-6-octenal

    Assign.     Shift(ppm)

      A             9.755
      B             5.087
      C     *1      2.405
      D     *1      2.234
      E             2.07
      F             1.98
      G     *2      1.682
      J     *2      1.602
      K          1.36 to 1.27
      L             0.972

     Hz     ppm     Int.

   3901.06   9.762    248
   3898.93   9.756    289
   3898.47   9.755    298
   3896.33   9.750    234
   2041.63   5.109     57
   2040.25   5.106     74
   2038.88   5.102     61
   2037.35   5.098     45
   2035.98   5.095     63
   2034.61   5.091    110
   2033.08   5.088    137
   2031.71   5.084    108
   2030.33   5.081     58
   2028.96   5.077     43
   2027.44   5.074     62
   2026.06   5.070     74
   2024.54   5.066     55
    974.88   2.440     68
    972.90   2.435     68
    969.24   2.426     74
    967.25   2.421     74
    958.86   2.400    107
    956.73   2.394    103
    953.22   2.386    114
    951.23   2.381    109
    905.46   2.266    137
    902.71   2.259    136
    897.52   2.246    162
    894.78   2.239    168
    889.43   2.226     87
    886.69   2.219     84
    881.35   2.206    115
    878.75   2.199    120
    853.88   2.137     39
    844.57   2.114     35
    837.86   2.097     51
    836.94   2.095     47
    830.99   2.080     87
    824.28   2.063     92
    816.50   2.044     68
    807.50   2.021    104
    800.02   2.002    130
    792.69   1.984    111
    785.52   1.966     55
    673.52   1.686    744
    672.30   1.683    728
    641.02   1.604    805
    640.56   1.603    800
    639.95   1.602    818
    564.12   1.412     39
    558.17   1.397     48
    557.56   1.396     50
    555.11   1.389     39
    550.69   1.378     86
    549.16   1.375     60
    544.74   1.364     84
    543.98   1.362     92
    541.84   1.356     89
    538.02   1.347     84
    535.74   1.341     86
    534.97   1.339     84
    529.02   1.324     69
    525.82   1.316     83
    524.14   1.312    110
    519.26   1.300     80
    518.19   1.297     83
    517.12   1.294     82
    511.63   1.281     85
    510.56   1.278     85
    509.49   1.275     89
    508.27   1.272     77
    506.90   1.269     77
    504.76   1.264     55
    502.93   1.259     80
    498.35   1.247     42
    497.13   1.244     41
    495.91   1.241     43
    489.50   1.225     41
    397.34   0.995     40
    394.29   0.987    150
    392.00   0.981   1000
    385.28   0.965    959
    380.55   0.953     52

liquid film