96-39-9

1-methylcyclopenta-1,3-diene(96-39-9) ¹H NMR

Product Name1-methylcyclopenta-1,3-diene

CAS 96-39-9

Molecular FormulaC6H8

Molecular Weight80.13

InChIInChI=1S/C6H8/c1-6-4-2-3-5-6/h2-4H,5H2,1H3

InChIKey NFWSQSCIDYBUOU-UHFFFAOYSA-N

SmilesC1(C)CC=CC=1

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¹HNMR

1-methylcyclopenta-1,3-diene(96-39-9) <sup>1</sup>H NMR

    Parameter     ppm  Hz

      D(A)         6.25
      D(B)         6.07
      D(C)         6.00
      D(D)         2.70
      D(E)         1.98
       J(A,B)          5.4
       J(A,C)          1.95
       J(A,D)         -1.55
       J(A,E)          0.4
       J(B,C)          1.30
       J(B,D)          1.55
       J(B,E)         -0.4
       J(C,D)         -1.25
       J(C,E)         -1.6
       J(D,E)         -0.2
     
     MSTISLAVSKY,V.I. ET AL. ORG.MAGN.RESON. 8, 368 (1976)

Spectral Code: 1H NMR : parameter in CCl4

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1-methylcyclopenta-1,3-diene(96-39-9) 1H NMR

1-methylcyclopenta-1,3-diene(96-39-9) ¹H NMR