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Back ChemicalBook Home>CAS DataBase List>503-30-0More Spectrum> TRIMETHYLENE OXIDE(503-30-0) 1H NMR

TRIMETHYLENE OXIDE(503-30-0) 1H NMR

Product NameTRIMETHYLENE OXIDE

CAS503-30-0

Molecular FormulaC3H6O

Molecular Weight58.08

InChIInChI=1S/C3H6O/c1-2-4-3-1/h1-3H2

InChIKey AHHWIHXENZJRFG-UHFFFAOYSA-N

SmilesO1CCC1


  • Mass

    MS-NW-4391          
    oxetane
    C3H6O               (Mass of molecular ion:     58)
    

       Source Temperature: 230 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          14.0       1.3
          15.0       1.1
          17.0       3.8
          18.0      16.2
          25.0       1.1
          26.0      12.5
          27.0      20.4
          28.0     100.0
          29.0      17.9
          30.0       4.6
          31.0       9.0
          38.0       1.0
          39.0       1.4
          43.0       1.0
          57.0       9.4
          58.0      45.5
          59.0       1.8
    

90 MHz in CDCl3

parameter neat


  • 1H NMR 89.56 MHz
    C3 H6 O 0.02 ml : 0.5 ml CDCl3
    oxetane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.752 B 2.704

         Hz     ppm     Int.
    

        433.56   4.842    428
        431.56   4.819     30
        425.94   4.756   1000
        418.25   4.671    537
        257.38   2.874     62
        256.75   2.867     63
        249.56   2.787    332
        241.69   2.699    313
        234.38   2.618    161
        233.75   2.610    182
        226.50   2.530     48
        225.94   2.523     45
    


  • 1H NMR 300 MHz
    C3 H6 O neat
    oxetane
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 4.62 D(B) 2.62 J(A,A') -6.02 J(A,A'') 0.20 J(A,A''') 0.14 J(A,B) 8.70 J(A,B') 6.60 J(A',A'') 0.14 J(A',A''') 0.20 J(A',B) 6.60 J(A',B') 8.70 J(A'',A''') -6.02 J(A'',B) 8.70 J(A'',B') 6.60 J(A''',B) 6.60 J(A''',B') 8.70 J(B,B') -11.15 LOZAC'H,R. & BRAILLON,B. J.CHIM.PHYS. 67, 340 (1970) LUSTIG,E. ET AL. SPECTROCHIM.ACTA 23A, 133 (1967)

         Hz     ppm     Int.
    

       1393.71   4.646    563
       1386.07   4.620   1000
       1378.41   4.595    592
        801.20   2.671     75
        793.54   2.645    268
        785.90   2.620    337
        778.20   2.594    229
        770.62   2.569     68
    

in CDCl3







TRIMETHYLENE OXIDE(503-30-0) 1H NMR Atlas of Related Products

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