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Back ChemicalBook Home>CAS DataBase List>279-49-2More Spectrum> 7-OXABICYCLO[2.2.1]HEPTANE(279-49-2) 13C NMR

7-OXABICYCLO[2.2.1]HEPTANE(279-49-2) 13C NMR

Molecular FormulaC6H10O

Molecular Weight98.14

InChIInChI=1S/C6H10O/c1-2-6-4-3-5(1)7-6/h5-6H,1-4H2

InChIKey YPWFNLSXQIGJCK-UHFFFAOYSA-N

SmilesC12OC(CC1)CC2


  • Mass

    MS-NW-3430          
    7-oxabicyclo(2.2.1)heptane
    C6H10O              (Mass of molecular ion:     98)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          14.0       1.0
          15.0       5.2
          18.0       2.2
          26.0       5.2
          27.0      28.3
          28.0       6.9
          29.0      11.6
          31.0       2.1
          37.0       2.2
          38.0       5.0
          39.0      45.7
          40.0       6.9
          41.0      55.3
          42.0      38.6
          43.0      13.4
          44.0      13.4
          50.0       3.8
          51.0       5.2
          52.0       2.4
          53.0       9.5
          54.0     100.0
          55.0      39.0
          56.0       7.0
          57.0      15.0
          58.0       1.0
          63.0       1.1
          65.0       2.7
          67.0       7.1
          68.0       4.7
          69.0      28.7
          70.0      17.0
          71.0       1.6
          77.0       5.3
          78.0       1.6
          79.0      16.1
          80.0      23.0
          81.0       2.3
          82.0       1.4
          83.0      22.5
          84.0       1.3
          97.0       4.4
          98.0      30.3
          99.0       2.1
    

400 MHz in CDCl3

90 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C6 H10 O 0.04 ml : 0.5 ml CDCl3
    7-oxabicyclo(2.2.1)heptane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.565 B 1.689 C 1.45

         Hz     ppm     Int.
    

       1829.96   4.579    284
       1827.64   4.574    401
       1826.66   4.571    439
       1824.46   4.566    620
       1822.14   4.560    412
       1821.29   4.558    382
       1818.97   4.552    263
        699.83   1.752     33
        698.61   1.749     31
        697.27   1.745     35
        696.29   1.743     36
        687.38   1.720    105
        685.18   1.715    136
        683.11   1.710    227
        680.30   1.703    450
        678.10   1.697    587
        674.68   1.689    516
        672.00   1.682    527
        670.90   1.679    493
        669.31   1.675    529
        666.87   1.669    262
        665.16   1.665    121
        662.72   1.659     80
        661.50   1.656     59
        659.67   1.651     40
        658.81   1.649     39
        656.25   1.643     30
        652.59   1.633     31
        650.39   1.628     31
        649.29   1.625     40
        647.34   1.620     35
        602.05   1.507     51
        600.95   1.504     48
        598.02   1.497     38
        594.97   1.489     47
        594.60   1.488     47
        588.26   1.472    141
        586.30   1.468    237
        585.21   1.465    224
        580.57   1.453   1000
        573.73   1.436    787
        568.36   1.423    122
        567.02   1.419    120
        564.94   1.414     70
    


  • 1H NMR 89.56 MHz
    C6 H10 O 0.04 ml : 0.5 ml CDCl3
    7-oxabicyclo(2.2.1)heptane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.560 B 1.88 to 1.25

         Hz     ppm     Int.
    

        416.56   4.652     31
        415.31   4.638     38
        413.63   4.619    279
        411.38   4.594    378
        410.56   4.585    437
        408.44   4.561    599
        406.13   4.535    463
        403.38   4.505    199
        400.50   4.472     40
        400.13   4.468     39
        399.25   4.458     33
        398.69   4.452     30
        397.94   4.444     31
        164.06   1.832     71
        163.44   1.825     74
        161.56   1.804     78
        158.56   1.771    214
        157.25   1.756    292
        155.38   1.735    454
        152.13   1.699    281
        151.19   1.689    312
        147.56   1.648    638
        146.69   1.638    576
        144.63   1.615    596
        143.81   1.606    584
        136.19   1.521    684
        135.25   1.511    543
        131.81   1.472   1000
        125.13   1.398    668
        120.38   1.345    123
        118.44   1.323     91
        117.06   1.308     97
        113.50   1.268     39
        112.63   1.258     35
    

in CDCl3



Liquid film





7-OXABICYCLO[2.2.1]HEPTANE(279-49-2) 13C NMR Atlas of Related Products

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