3-Methyl-1,4-dioxepan-2-one(65565-07-3) ¹H NMR

Product Name3-Methyl-1,4-dioxepan-2-one

CAS 65565-07-3

Molecular FormulaC6H10O3

Molecular Weight130.14

InChIInChI=1S/C6H10O3/c1-5-6(7)9-4-2-3-8-5/h5H,2-4H2,1H3

InChIKey OXPPJEYICWLSLV-UHFFFAOYSA-N

SmilesO1CCCOC(C)C1=O

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¹HNMR

    Parameter     ppm  Hz

      D(A)         4.27
      D(B)         3.98
      D(C)         1.64
      D(D)         1.47
      D(E)         3.59
      D(F)         3.01
       J(A,B)        -10.84
       J(A,C)          2.88
       J(A,D)         10.16
       J(A,E)          0.0
       J(A,F)          0.0
       J(B,C)          4.83
       J(B,D)          4.23
       J(B,E)          0.0
       J(B,F)          0.0
       J(C,D)        -14.7
       J(C,E)          9.43
       J(C,F)          6.09
       J(D,E)          5.08
       J(D,F)          3.86
       J(E,F)         -8.29
     
      D(G)         3.84
      D(J)         1.29
       J(G,J)          6.73
     
     AYRAS,P. & PARTANEN,A. ORG.MAGN.RESON. 9, 379 (1977)

Spectral Code: 1H NMR : parameter in benzene-d6

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3-Methyl-1,4-dioxepan-2-one(65565-07-3) 1H NMR

3-Methyl-1,4-dioxepan-2-one(65565-07-3) ¹H NMR