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Back ChemicalBook Home>CAS DataBase List>5048-30-6More Spectrum> 7-ACETOXY-1-HEPTENE(5048-30-6) 13C NMR

5048-30-6

7-ACETOXY-1-HEPTENE(5048-30-6) 13C NMR

Molecular FormulaC9H16O2

Molecular Weight156.22

InChIInChI=1S/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h3H,1,4-8H2,2H3

InChIKey GNEUVQRNOYJQLS-UHFFFAOYSA-N

SmilesC(OC(=O)C)CCCCC=C

  • 7-ACETOXY-1-HEPTENE(5048-30-6) <sup>13</sup>C NMR
    Mass

    MS-IW-7194          
    6-heptenyl acetate
    C9H16O2             (Mass of molecular ion:    156)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          14.0       2.2
          15.0       4.2
          18.0       2.8
          27.0      11.0
          28.0       3.8
          29.0      13.8
          31.0       1.7
          39.0      19.6
          40.0       3.7
          41.0      29.1
          42.0      10.9
          43.0     100.0
          44.0       4.7
          45.0       1.5
          51.0       1.7
          52.0       1.0
          53.0      10.0
          54.0      85.8
          55.0      74.4
          56.0       4.7
          57.0       2.6
          58.0       2.4
          61.0       9.0
          65.0       2.0
          66.0       8.9
          67.0      91.9
          68.0      68.9
          69.0       6.7
          70.0       1.0
          71.0       3.9
          72.0       1.3
          73.0       8.2
          77.0       1.7
          79.0       5.6
          80.0       2.2
          81.0      51.4
          82.0       4.0
          83.0       1.2
          85.0       1.4
          91.0       1.4
          93.0       1.1
          94.0       1.3
          95.0       9.0
          96.0      24.4
          97.0       4.0
          98.0       2.0
         108.0       1.3
         114.0       2.0
    

400 MHz in CDCl3

  • 7-ACETOXY-1-HEPTENE(5048-30-6) <sup>13</sup>C NMR

    1H NMR 399.65 MHz
    C9 H16 O2 0.05 ml : 0.5 ml CDCl3
    6-heptenyl acetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.796 B 5.001 C 4.945 D 4.056 E 2.06 F 2.041 G 1.631 J 1.40

         Hz     ppm     Int.
    

       2330.93   5.833     50
       2320.68   5.807     75
       2313.84   5.790     77
       2310.30   5.781     31
       2307.13   5.773     31
       2303.59   5.765     58
       2009.64   5.029     40
       2008.06   5.025     83
       2005.98   5.020     89
       2004.39   5.016     43
       1992.55   4.986     37
       1990.97   4.982     76
       1988.89   4.977     82
       1987.30   4.973     41
       1983.28   4.963     47
       1982.06   4.960     86
       1981.08   4.958     72
       1979.98   4.955     74
       1978.76   4.952     40
       1973.14   4.938     44
       1971.92   4.935     82
       1970.83   4.932     67
       1969.85   4.929     69
       1968.63   4.926     37
       1627.81   4.074    180
       1621.09   4.057    341
       1614.38   4.040    179
        833.98   2.087     41
        832.76   2.084     35
        827.27   2.070    113
        819.70   2.052    130
        815.92   2.042   1000
        805.42   2.016     30
        666.75   1.669     37
        659.91   1.652     95
        652.34   1.633    114
        649.41   1.625     34
        645.39   1.615     99
        638.55   1.598     37
        577.51   1.446     38
        576.05   1.442     37
        574.83   1.439     39
        572.63   1.433     32
        569.46   1.425     74
        568.24   1.422     71
        567.63   1.421     70
        565.31   1.415     51
        562.26   1.407     98
        560.79   1.404    100
        558.35   1.398     83
        557.50   1.395     88
        555.91   1.391     94
        555.18   1.390     90
        552.98   1.384     75
        552.00   1.382     85
        549.80   1.376     56
        548.10   1.372     46
        545.29   1.365     76
        541.02   1.354     41
        539.67   1.351     33
        536.38   1.343     33
    

in CDCl3

  • 7-ACETOXY-1-HEPTENE(5048-30-6) <sup>13</sup>C NMR

liquid film

  • 7-ACETOXY-1-HEPTENE(5048-30-6) <sup>13</sup>C NMR

7-ACETOXY-1-HEPTENE(5048-30-6) 13C NMR Atlas of Related Products

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