1,1'-(Naphthalene-1,8-diyl)bis(1H-1,2,3-triazole-4-carboxylic acid ethyl) ester(91165-66-1) IR1

Product Name1,1'-(Naphthalene-1,8-diyl)bis(1H-1,2,3-triazole-4-carboxylic acid ethyl) ester

Molecular Formula

Molecular Weight

InChIInChI=1S/C18H14N6O4/c1-2-28-18(27)13-10-24(22-20-13)15-8-4-6-11-5-3-7-14(16(11)15)23-9-12(17(25)26)19-21-23/h3-10H,2H2,1H3,(H,25,26)

InChIKey IHXTUOLFOUQPIO-UHFFFAOYSA-N

SmilesC1(N2C=C(C(OCC)=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             8.269
      B             8.029
      C             7.753
      D             7.573
      E             4.427
      F             1.426
     
     J(A,C)=8.6HZ. J(A,D)=1.1HZ. J(C,D)=7.3HZ. J(E,F)=7.1HZ.

Spectral Code: 1H NMR : 400 MHz in CDCl3

       ppm   Int.  Assign.

      159.84   435      1
      140.18   569      2
      135.78   315      3
      132.28   774      4
      130.84   469      5
      129.85   839      6 *
      129.21   912      7 *
      126.44   936      8
      123.62   248      9
       61.37  1000     10
       14.30   842     11

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : KBr disc

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