91165-70-7

1-(1-Naphtyl)-1H-1,2,3-triazole-5-carboxylic acid ethyl ester(91165-70-7) IR1

Product Name1-(1-Naphtyl)-1H-1,2,3-triazole-5-carboxylic acid ethyl ester

CAS 91165-70-7

Molecular Formula

Molecular Weight

InChIInChI=1S/C15H13N3O2/c1-2-20-15(19)14-10-16-17-18(14)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,2H2,1H3

InChIKey QFJIYHCAJYUYDL-UHFFFAOYSA-N

SmilesN1(C2=C3C(C=CC=C3)=CC=C2)C(C(OCC)=O)=CN=N1

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¹HNMR

¹³CNMR

IR1

1-(1-Naphtyl)-1H-1,2,3-triazole-5-carboxylic acid ethyl ester(91165-70-7) IR1

    Assign.     Shift(ppm)

      A             8.406
      B             8.068
      C             7.965
      D             7.606
      E             7.55
      F             7.55
      G             7.48
      J             7.113
      K             4.102
      L             1.005
     
     J(B,D)=8.2HZ. J(C,E)=8.2HZ. J(K,L)=7.1HZ. J(G,J)=8.5HZ.

Spectral Code: 1H NMR : 400 MHz in CDCl3

1-(1-Naphtyl)-1H-1,2,3-triazole-5-carboxylic acid ethyl ester(91165-70-7) IR1

       ppm   Int.  Assign.

      157.41   201      1
      137.63   741      2
      133.88   386      3
      133.42   232      4
      131.26   205      5
      130.80   965      6
      129.85   297      7
      128.27   942      8
      127.83  1000      9
      126.90   985     10
      124.88   939     11 *
      124.76   902     12 *
      121.72  1000     13
       61.66   874     14
       13.62   925     15

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : KBr disc

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