1,1'-(Naphthalene-1,8-diyl)bis(1H-1,2,3-triazole-4,5-dicarboxylic acid dimethyl) ester(91165-61-6) IR1

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

Molecular FormulaC22H18N6O8

Molecular Weight494.41

InChIInChI=1S/C22H18N6O8/c1-33-19(29)15-17(21(31)35-3)27(25-23-15)12-9-5-7-11-8-6-10-13(14(11)12)28-18(22(32)36-4)16(24-26-28)20(30)34-2/h5-10H,1-4H3

InChIKey KSQOVAMNNVXTGP-UHFFFAOYSA-N

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

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¹HNMR

¹³CNMR

IR1

    Assign.     Shift(ppm)

      A             8.267
      B             7.725
      C             7.497
      D             4.005
      E             3.805
     
     J(A,C)=0.7HZ. J(B,C)=7.3HZ. J(A,B)=8.4HZ.

Spectral Code: 1H NMR : 400 MHz in CDCl3

       ppm   Int.  Assign.

      160.01   698      1
      157.63   422      2
      139.73   178      3
      135.43   499      4
      132.64   985      5
      131.82   139      6
      130.14   640      7
      129.93   703      8
      126.02  1000      9
      124.57   141     10
       53.32   667     11 *
       52.74   903     12 *

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : KBr disc

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