27675-38-3

3-METHYL-1-NITROBUT-1-ENE(27675-38-3) ¹H NMR

Product Name3-METHYL-1-NITROBUT-1-ENE

CAS 27675-38-3

Molecular FormulaC5H9NO2

Molecular Weight115.13

InChIInChI=1S/C5H9NO2/c1-5(2)3-4-6(7)8/h3-5H,1-2H3/b4-3+

InChIKey ARGNGGCUTGQKIA-ONEGZZNKSA-N

SmilesC(/[N+]([O-])=O)=C\C(C)C

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¹HNMR

3-METHYL-1-NITROBUT-1-ENE(27675-38-3) <sup>1</sup>H NMR

    Parameter     ppm  Hz

      D(A)         1.14
      D(B)         2.59
      D(C)         7.17
      D(D)         6.89
       J(A,B)          6.6
       J(A,C)          0.0
       J(A,D)          0.0
       J(B,C)          6.9
       J(B,D)         -0.9
       J(C,D)         13.6
     
     DESCOTES,G. ET AL. BULL.SOC.CHIM.FR. 1970, 282

Spectral Code: 1H NMR : parameter in CCl4

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3-METHYL-1-NITROBUT-1-ENE(27675-38-3) 1H NMR

3-METHYL-1-NITROBUT-1-ENE(27675-38-3) ¹H NMR