5-NITRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER(20699-86-9) ¹H NMR

Product Name5-NITRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER

CAS 20699-86-9

Molecular FormulaC10H7NO4S

Molecular Weight237.23

InChIInChI=1S/C10H7NO4S/c1-15-10(12)9-5-6-4-7(11(13)14)2-3-8(6)16-9/h2-5H,1H3

InChIKey OSVZEJHBIFIMJF-UHFFFAOYSA-N

SmilesC12=CC=C([N+]([O-])=O)C=C1C=C(C(OC)=O)S2

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¹HNMR

    Parameter     ppm  Hz

      D(A)         8.22
      D(B)         8.80
      D(C)         8.33
      D(D)         8.02
       J(A,B)          0.3
       J(A,C)          0.0
       J(A,D)          0.9
       J(B,C)          2.2
       J(B,D)          0.5
       J(C,D)          9.1
     
      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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5-NITRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER(20699-86-9) 1H NMR

5-NITRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER(20699-86-9) ¹H NMR