反-2-辛烯醛(2548-87-0)核磁圖(¹HNMR)

產(chǎn)品名稱:反-2-辛烯醛

CAS:2548-87-0

分子式:C8H14O

分子量: 126.2

InChI:InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+

InChIKey: LVBXEMGDVWVTGY-VOTSOKGWSA-N

Smiles:C(=O)/C=C/CCCCC

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-7545          
trans-2-octenal
C8H14O              (Mass of molecular ion:    126)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       3.1
      18.0       1.5
      26.0       3.2
      27.0      42.1
      28.0       6.0
      29.0      73.8
      30.0       1.8
      31.0       2.8
      38.0       2.8
      39.0      42.1
      40.0       8.1
      41.0     100.0
      42.0      41.9
      43.0      19.3
      44.0       3.1
      45.0       6.1
      47.0       1.5
      50.0       2.1
      51.0       4.2
      52.0       2.0
      53.0      11.1
      54.0       5.4
      55.0      84.6
      56.0      19.7
      57.0      52.2
      58.0      13.1
      59.0       2.1
      60.0       2.1
      63.0       1.1
      65.0       2.5
      66.0       2.3
      67.0      20.8
      68.0       9.8
      69.0      31.9
      70.0      70.7
      71.0      11.9
      72.0       1.7
      73.0       5.6
      75.0       1.3
      77.0       2.6
      78.0       1.1
      79.0       6.7
      80.0       3.2
      81.0       5.5
      82.0      34.1
      83.0      61.8
      84.0      18.0
      85.0       3.1
      91.0       1.4
      93.0       8.1
      95.0       5.1
      96.0       1.1
      97.0      13.7
      98.0       9.0
      99.0       1.8
     101.0       3.9
     103.0       2.3
     108.0       4.2
     109.0       1.0
     111.0       2.9
     125.0       1.7
     126.0       1.1
     129.0       2.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₄ O	0.05 ml : 0.5 ml CDCl₃
trans-2-octenal

    Assign.     Shift(ppm)

      A             9.502
      B             6.857
      C             6.123
      D             2.33
      E          1.69 to 1.19
      F             0.90
     
     J(B,C)=15.6HZ
     J(C,A)=7.8HZ
     J(C,D)=1.4HZ

     Hz     ppm     Int.

    855.06   9.548    863
    851.13   9.504     39
    847.31   9.461    920
    630.50   7.040    125
    623.81   6.966    256
    617.13   6.891    149
    614.94   6.867    190
    608.25   6.792    391
    601.56   6.717    222
    559.88   6.252    172
    558.44   6.236    327
    557.06   6.220    175
    552.06   6.165    165
    550.69   6.149    315
    549.25   6.133    169
    544.25   6.077    107
    542.88   6.062    215
    541.44   6.046    121
    536.50   5.991    102
    535.06   5.975    202
    533.63   5.959    113
    221.44   2.473     64
    220.00   2.457     93
    219.25   2.449     85
    218.44   2.440     85
    217.88   2.433     85
    213.44   2.384    269
    212.56   2.374    251
    209.75   2.343    145
    209.44   2.339    144
    206.44   2.306    318
    202.25   2.259     96
    199.94   2.233    158
    198.94   2.222    130
    198.38   2.216    126
    194.81   2.176     32
    194.19   2.169     30
    124.19   1.387    766
     86.44   0.966    364
     80.94   0.904   1000
     75.00   0.838    268

in CDCl3