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2548-87-0

反-2-辛烯醛(2548-87-0)核磁图(1HNMR)

产品名称: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

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    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

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

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liquid film

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