91165-63-8

1,1'-(Naphthalene-1,8-diyl)bis(1H-1,2,3-triazole-4,5-dicarboxylic acid diisopropyl) ester(91165-63-8) IR1

Product Name1,1'-(Naphthalene-1,8-diyl)bis(1H-1,2,3-triazole-4,5-dicarboxylic acid diisopropyl) ester

Molecular Formula

Molecular Weight

InChIInChI=1S/C24H22N6O8/c1-11(2)37-23(35)18-20(24(36)38-12(3)4)30(28-26-18)15-10-6-8-13-7-5-9-14(16(13)15)29-19(22(33)34)17(21(31)32)25-27-29/h5-12H,1-4H3,(H,31,32)(H,33,34)

InChIKey WZZLHCJLCHIBJP-UHFFFAOYSA-N

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

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¹HNMR

¹³CNMR

IR1

1,1'-(Naphthalene-1,8-diyl)bis(1H-1,2,3-triazole-4,5-dicarboxylic acid diisopropyl) ester(91165-63-8) IR1

    Assign.     Shift(ppm)

      A             8.244
      B             7.700
      C             7.429
      D             5.300
      E             4.959
      F     *1      1.437
      G     *1      1.430
      J     *2      1.015
      K     *2      0.944
     
     J(A,B)=8.3HZ. J(A,C)=1.1HZ. J(B,C)=7.3HZ.
     J(F,D)=J(G,D)=J(J,E)=J(K,E)=6.3HZ.

Spectral Code: 1H NMR : 400 MHz in CDCl3

1,1'-(Naphthalene-1,8-diyl)bis(1H-1,2,3-triazole-4,5-dicarboxylic acid diisopropyl) ester(91165-63-8) IR1

       ppm   Int.  Assign.

      159.45   292      1
      156.12   195      2
      140.72   120      3
      135.09   140      4
      132.16   456      5
      132.01   146      6
      131.03   195      7
      129.79   360      8
      125.92   589      9
      125.40   140     10
       70.58   485     11 *
       69.76   551     12 *
       21.80   698     13 #
       21.16  1000     14 #

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : KBr disc

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