112-31-2

癸醛(112-31-2)质谱(MS)

产品名称:癸醛

CAS:112-31-2

分子式:C10H20O

分子量: 156.27

InChI:InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3

InChIKey: KSMVZQYAVGTKIV-UHFFFAOYSA-N

Smiles:C(=O)CCCCCCCCC

Mass

MS-NW-0922          
decanal
C10H20O             (Mass of molecular ion:    156)

   Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.8
      18.0       1.7
      26.0       1.5
      27.0      33.7
      28.0       7.1
      29.0      50.8
      30.0       1.4
      31.0       2.5
      39.0      19.3
      40.0       3.3
      41.0      80.8
      42.0      30.5
      43.0     100.0
      44.0      54.0
      45.0      17.4
      51.0       1.1
      53.0       5.0
      54.0      14.6
      55.0      61.9
      56.0      43.0
      57.0      62.2
      58.0       5.5
      59.0       1.0
      60.0       2.8
      66.0       4.0
      67.0      26.2
      68.0      34.4
      69.0      29.6
      70.0      47.2
      71.0      33.8
      72.0       6.8
      73.0       2.7
      79.0       1.5
      80.0       1.0
      81.0      22.3
      82.0      33.5
      83.0      27.7
      84.0      16.3
      85.0       4.3
      86.0       1.3
      95.0      17.4
      96.0      14.6
      97.0       5.2
      99.0       2.5
     109.0       7.4
     110.0      12.1
     111.0       1.4
     112.0      21.6
     113.0       3.0
     128.0       3.8
     129.0       1.0
     138.0       2.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₂₀ O	0.05 ml : 0.5 ml CDCl₃
decanal

    Assign.     Shift(ppm)

      A             9.761
      B             2.419
      C             1.628
      D             1.32
      E             1.27
      F             0.879

     Hz     ppm     Int.

   3902.89   9.766    326
   3901.06   9.762    583
   3899.23   9.757    310
    975.49   2.441    264
    973.51   2.436    258
    968.17   2.423    468
    966.19   2.418    447
    962.68   2.409     55
    960.69   2.404    291
    958.86   2.400    283
    665.59   1.666     54
    658.26   1.648    161
    650.94   1.629    224
    643.62   1.611    166
    636.29   1.593     62
    520.94   1.304    644
    508.58   1.273   1000
    358.58   0.898    370
    351.87   0.881    970
    344.85   0.863    423

in CDCl3