[1,1'-(Naphthalene-1,8-diyl)bis(1H-1,2,3-triazole)]-4,4',5-tricarboxylic acid triethyl ester(91165-72-9) IR1

Product Name[1,1'-(Naphthalene-1,8-diyl)bis(1H-1,2,3-triazole)]-4,4',5-tricarboxylic acid triethyl ester

Molecular Formula

Molecular Weight

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

InChIKey LTHPPTGMEANHSY-UHFFFAOYSA-N

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

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¹HNMR

¹³CNMR

IR1

    Assign.     Shift(ppm)

      A     *1      8.27
      B     *1      8.25
      C             8.001
      D     *2      7.73
      E     *2      7.72
      F             7.53
      G          4.50 to 4.39
      K             4.226
      L     *3      1.44
      M     *3      1.43
      N             1.151
     
     TWO PROTONES OF G, AND OF J ARE NOT EQUIVALENT.

Spectral Code: 1H NMR : 400 MHz in CDCl3

       ppm   Int.  Assign.

      159.96   190      1 *
      159.62   168      2 *
      157.22    75      3
      140.11    88      4
      139.95   244      5
      135.49   358      6
      132.50   565      7 #
      132.30   548      8 #
      131.77   122      9
      130.87   371     10 *1
      130.20   244     11 *1
      129.80  1000     12 #1
                       13 #1
      129.59   592     14 #1
      126.28   607     15 *2
      126.16   585     16 *2
      124.11   178     17
       62.79   560     18 #2
       62.00   617     19 #2
       61.20   649     20 #2
       14.32   609     21 *3
       14.16   568     22 *3
       13.61   580     23

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : KBr disc

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