1-(naphthalen-1-yl)-1H-1,2,3-triazole-4-carboxylic acid(113423-89-5) IR1

Product Name1-(naphthalen-1-yl)-1H-1,2,3-triazole-4-carboxylic acid

CAS 113423-89-5

Molecular FormulaC13H9N3O2

Molecular Weight239.23

InChIInChI=1S/C13H9N3O2/c17-13(18)11-8-16(15-14-11)12-7-3-5-9-4-1-2-6-10(9)12/h1-8H,(H,17,18)

InChIKey ICWUCXPZSYRKBZ-UHFFFAOYSA-N

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

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¹HNMR

¹³CNMR

IR1

    Assign.     Shift(ppm)

      A            13.35
      B             9.252
      C             8.24
      D             8.15
      E             7.803
      F             7.726
      G             7.69
      J             7.65
      K             7.466
     
     J(C,F)=8.2HZ. J(D,G)=8.0HZ. J(E,F)=7.3HZ.
     J(C,E)=1.2HZ. J(J,K)=8.3HZ.

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

       ppm   Int.  Assign.

      161.47   630      1
      139.97   581      2
      133.54   836      3
      132.62   654      4
      131.33   962      5
      130.58   900      6
      128.24   933      7
      128.07  1000      8
      127.88   595      9
      127.12   977     10
      125.27   959     11 *
      124.23   889     12 *
      121.79   933     13

Spectral Code: 13C NMR : in DMSO-d6

Spectral Code: IR : nujol mull

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