Product Name3-Methoxy-5-nitrothionaphthene

CAS

Molecular FormulaC9H7NO3S

Molecular Weight209.22178

InChIInChI=1S/C9H7NO3S/c1-13-8-5-14-9-3-2-6(10(11)12)4-7(8)9/h2-5H,1H3

InChIKey SVURAEDMZZLYCK-UHFFFAOYSA-N

SmilesS1C2=C(C=C([N+]([O-])=O)C=C2)C(OC)=C1

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¹HNMR

    Parameter     ppm  Hz

      D(A)         6.48
      D(B)         8.67
      D(C)         8.18
      D(D)         7.83
       J(A,B)          0.0
       J(A,C)          0.0
       J(A,D)          0.5
       J(B,C)          2.2
       J(B,D)          0.65
       J(C,D)          8.8
     
      D(E)         4.02
     
     CADDY,B. ET AL. AUST.J.CHEM. 21, 1853 (1968)

Spectral Code: 1H NMR : parameter in CDCl3

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