101-39-3

α-甲基肉桂醛(101-39-3)質(zhì)譜(MS)

產(chǎn)品名稱:α-甲基肉桂醛

CAS:101-39-3

分子式:C10H10O

分子量: 146.19

InChI:InChI=1S/C10H10O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-8H,1H3

InChIKey: VLUMOWNVWOXZAU-UHFFFAOYSA-N

Smiles:C(=O)C(C)=CC1=CC=CC=C1

Mass

MS-NW-8888          
alpha-methylcinnamaldehyde
C10H10O             (Mass of molecular ion:    146)

   Source Temperature: 270 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       2.4
      28.0       1.4
      29.0       1.5
      38.0       1.1
      39.0      14.8
      40.0       3.7
      41.0       2.4
      50.0       4.5
      51.0      13.7
      52.0       3.0
      53.0       1.1
      57.5       2.5
      58.0       1.9
      62.0       2.5
      63.0       8.8
      64.0       1.8
      65.0      10.1
      74.0       1.8
      75.0       2.5
      76.0       2.6
      77.0       9.1
      78.0      24.9
      79.0       2.2
      87.0       1.0
      89.0       7.5
      90.0       1.7
      91.0      26.7
      92.0       2.6
     102.0       3.4
     103.0       7.6
     105.0       3.4
     114.0       1.0
     115.0      45.7
     116.0      12.6
     117.0      56.5
     118.0       8.5
     127.0       1.6
     128.0       1.8
     129.0       1.2
     131.0       7.7
     144.0       1.0
     145.0     100.0
     146.0      73.1
     147.0       7.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₀ O	9.8 mol% in CDCl₃
alpha-methylcinnamaldehyde

    Assign.     Shift(ppm)

      A             2.06
      B             9.563
      C             7.24
      D          7.30 to 7.64

     Hz     ppm     Int.

    856.50   9.564    653
    680.50   7.599     31
    679.81   7.591     43
    679.44   7.587     48
    679.06   7.583     55
    677.75   7.568     86
    677.25   7.562     83
    676.88   7.558     85
    676.13   7.550    121
    675.38   7.542    141
    674.81   7.535    124
    673.69   7.523    122
    671.63   7.500    205
    671.13   7.494    262
    669.44   7.475    534
    668.13   7.461    359
    666.69   7.445    640
    665.94   7.436    589
    665.44   7.431    292
    664.81   7.424    358
    662.44   7.397    308
    661.19   7.383    263
    660.69   7.378    133
    658.75   7.356    257
    657.94   7.347     92
    657.50   7.342    101
    656.31   7.329     78
    655.25   7.317     66
    654.25   7.306     47
    653.38   7.296     40
    652.69   7.288     44
    651.00   7.269    124
    649.19   7.249    223
    647.88   7.235    229
    646.44   7.218     97
    185.25   2.069   1000
    183.88   2.054    973

in CDCl3