Product Name1-(1-Naphthyl)-1H-1,2,3-triazole-4,5-dicarboxylic acid

CAS

Molecular FormulaC14H9N3O4

Molecular Weight283.23896

InChIInChI=1S/C14H9N3O4/c18-13(19)11-12(14(20)21)17(16-15-11)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,18,19)(H,20,21)

InChIKey XWIRGBBMUNDEGU-UHFFFAOYSA-N

SmilesN1(C2=C3C(C=CC=C3)=CC=C2)C(C(O)=O)=C(C(O)=O)N=N1

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¹HNMR

¹³CNMR

    Assign.     Shift(ppm)

      A             8.225
      B             8.127
      C             7.73
      D             7.70
      E     *1      7.655
      F     *1      7.593
      G             7.25
      J             7.157
     
     J(F,J)=8.4HZ. J(B,E)=8.3HZ. J(A,D)=7.3HZ.
     J(A,C)=1.8HZ.

Spectral Code: 1H NMR : 400 MHz in DMSO-d6

       ppm   Int.  Assign.

      161.13   613      1
      158.70   656      2
      138.82   437      3
      135.42   314      4
      133.32   555      5
      132.42   530      6
      130.72   670      7
      128.90   455      8
      128.17   656      9
      127.95   728     10
      126.98   679     11
      125.13  1000     12
                       13
      121.58   613     14

Spectral Code: 13C NMR : in DMSO-d6

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