2-ETHYL-2-HEXENAL(645-62-5) MS

Product Name2-ETHYL-2-HEXENAL

CAS 645-62-5

Molecular FormulaC8H14O

Molecular Weight126.2

InChIInChI=1S/C8H14O/c1-3-5-6-8(4-2)7-9/h6-7H,3-5H2,1-2H3

InChIKey PYLMCYQHBRSDND-UHFFFAOYSA-N

SmilesC(=O)C(CC)=CCCC

Request For Quotation

Mass

MS-IW-5636          
2-ethyl-2-hexenal
C8H14O              (Mass of molecular ion:    126)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      26.0       1.1
      27.0      18.5
      28.0       2.7
      29.0      21.1
      31.0       1.2
      38.0       1.5
      39.0      22.8
      40.0       3.9
      41.0      62.1
      42.0      10.9
      43.0      33.4
      44.0       1.9
      45.0       1.5
      50.0       2.0
      51.0       4.9
      52.0       2.1
      53.0      12.7
      54.0       3.5
      55.0     100.0
      56.0      16.3
      57.0      31.4
      58.0       2.1
      63.0       1.5
      65.0       4.7
      66.0       3.0
      67.0      21.9
      68.0       5.6
      69.0      24.9
      70.0       9.9
      71.0       6.9
      72.0       2.9
      77.0      14.6
      78.0       2.7
      79.0      17.4
      80.0       2.2
      81.0       7.7
      82.0       2.3
      83.0      20.7
      84.0       8.4
      85.0      12.6
      91.0      10.6
      92.0       1.1
      93.0      25.6
      94.0       2.1
      95.0       5.9
      96.0       1.7
      97.0      63.7
      98.0       8.1
     107.0       1.5
     108.0       5.7
     109.0       1.7
     111.0      30.5
     112.0       3.0
     125.0       3.1
     126.0      52.6
     127.0       6.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₄ O	0.04 ml : 0.5 ml CDCl₃
2-ethyl-2-hexenal

    Assign.     Shift(ppm)

      A             9.367
      B             6.428
      C     *1      2.32
      D     *1      2.29
      E             1.53
      F             0.99
      G             0.97

     Hz     ppm     Int.

    838.92   9.368    457
    583.23   6.513     89
    575.83   6.430    182
    568.36   6.347     95
    221.19   2.470     79
    214.45   2.395    282
    212.04   2.368     61
    211.38   2.361     67
    210.21   2.348     62
    209.69   2.342     51
    207.06   2.312    490
    204.49   2.284     79
    204.20   2.281     80
    202.44   2.261     51
    199.51   2.228    373
    197.02   2.200     51
    192.04   2.145    111
    150.59   1.682     63
    149.49   1.670    103
    144.07   1.609     89
    142.60   1.593    159
    141.65   1.582    111
    136.89   1.529     88
    135.64   1.515    128
    134.62   1.504    174
    133.37   1.490     49
    129.35   1.445     76
    127.66   1.426    137
     95.87   1.071    231
     94.78   1.059    501
     94.19   1.052    638
     91.85   1.026    222
     89.79   1.003     69
     88.26   0.986    719
     86.94   0.971   1000
     85.47   0.955    271
     84.52   0.944    180
     81.59   0.912    161
     80.49   0.899    253
     79.17   0.884    402
     76.54   0.855     61
     76.17   0.851     56

in CDCl3