91165-74-1

1-[8-[5-(Ethoxycarbonyl)-1H-1,2,3-triazol-1-yl]naphthalen-1-yl]-1H-1,2,3-triazole-4,5-dicarboxylic acid diethyl ester(91165-74-1) IR1

Product Name1-[8-[5-(Ethoxycarbonyl)-1H-1,2,3-triazol-1-yl]naphthalen-1-yl]-1H-1,2,3-triazole-4,5-dicarboxylic acid diethyl ester

CAS 91165-74-1

Molecular FormulaC23H22N6O6

Molecular Weight

InChIInChI=1S/C23H22N6O6/c1-4-33-21(30)17-13-24-26-28(17)15-11-7-9-14-10-8-12-16(18(14)15)29-20(23(32)35-6-3)19(25-27-29)22(31)34-5-2/h7-13H,4-6H2,1-3H3

InChIKey OKHCVKIUMNUECC-UHFFFAOYSA-N

SmilesN1(C2=C3C(C=CC=C3N3C(C(OCC)=O)=CN=N3)=CC=C2)C(C(OCC)=O)=C(C(OCC)=O)N=N1

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¹HNMR

¹³CNMR

IR1

1-[8-[5-(Ethoxycarbonyl)-1H-1,2,3-triazol-1-yl]naphthalen-1-yl]-1H-1,2,3-triazole-4,5-dicarboxylic acid diethyl ester(91165-74-1) IR1

    Assign.     Shift(ppm)

      A     *1      8.25
      B     *1      8.24
      C             7.943
      D     *2      7.71
      E     *2      7.70
      F     *3      7.42
      G     *3      7.42
      J     *4      4.48
      K     *4      4.46
      L             4.17
      M             4.16
      N             1.453
      P             1.119
      Q             1.026

Spectral Code: 1H NMR : 400 MHz in CDCl3

1-[8-[5-(Ethoxycarbonyl)-1H-1,2,3-triazol-1-yl]naphthalen-1-yl]-1H-1,2,3-triazole-4,5-dicarboxylic acid diethyl ester(91165-74-1) IR1

       ppm   Int.  Assign.

      159.99   265      1
      157.07   244      2 *
      156.48   208      3 *
      140.72   117      4
      137.31   789      5
      135.08   374      6
      132.42   761      7 #
      131.96   881      8 #
      131.31   485      9
                       10
      131.18   333     11
      130.65   297     12
      129.72   882     13 *1
      129.55   755     14 *1
      126.05   978     15 #1
      125.81   756     16 #1
      125.10   206     17
       62.39   903     18 *2
       62.05   872     19 *2
       61.76   873     20 *2
       14.21  1000     21
       13.74   912     22 #2
       13.45   836     23 #2

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : KBr disc

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