Product Name1,1'-(1,8-Naphthylene)bis(1H-1,2,3-triazole-4-carboxylic acid)

CAS

Molecular FormulaC16H10N6O4

Molecular Weight350.2884

InChIInChI=1S/C16H10N6O4/c23-15(24)10-7-21(19-17-10)12-5-1-3-9-4-2-6-13(14(9)12)22-8-11(16(25)26)18-20-22/h1-8H,(H,23,24)(H,25,26)

InChIKey CTJMTPHWSWQPQM-UHFFFAOYSA-N

SmilesC1(N2C=C(C(O)=O)N=N2)=C2C(C=CC=C2N2C=C(C(O)=O)N=N2)=CC=C1

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¹HNMR

¹³CNMR

IR1

    Assign.     Shift(ppm)

      A            13.01
      B             8.684
      C             8.486
      D             7.868
      E             7.778
     
     J(C,D)=8.6HZ. J(C,E)=1.3HZ.

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

       ppm   Int.  Assign.

      160.91   874      1
      139.14   729      2
      135.03   515      3
      131.84   905      4
      130.82   946      5
      130.33   693      6
      129.24   916      7
      126.42  1000      8
      122.23   246      9

Spectral Code: 13C NMR : in DMSO-d6

Spectral Code: IR : nujol mull

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