1-(1-Naphtyl)-1H-1,2,3-triazole-4,5-dicarboxylic acid dimethyl ester(91165-85-4) ¹³C NMR

Product Name1-(1-Naphtyl)-1H-1,2,3-triazole-4,5-dicarboxylic acid dimethyl ester

CAS 91165-85-4

Molecular FormulaC16H13N3O4

Molecular Weight311.29

InChIInChI=1S/C16H13N3O4/c1-22-15(20)13-14(16(21)23-2)19(18-17-13)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3

InChIKey HQPZAEUJOLWBLL-UHFFFAOYSA-N

SmilesN1(C2=C3C(C=CC=C3)=CC=C2)C(C(OC)=O)=C(C(OC)=O)N=N1

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¹HNMR

¹³CNMR

IR1

    Assign.     Shift(ppm)

      A             8.085
      B             7.975
      C             7.60
      D             7.59
      E             7.58
      F             7.54
      G             7.272
      J             4.051
      K             3.692

Spectral Code: 1H NMR : 400 MHz in CDCl3

       ppm   Int.  Assign.

      160.34   272      1
      158.61   261      2
      138.75   179      3
      134.10   222      4
      134.04   496      5
      131.87   254      6
      131.54   903      7
      129.21   367      8
      128.35  1000      9
      128.25   867     10
      127.30   895     11
      124.91   946     12 *
      124.75   874     13 *
      121.72   976     14
       53.47   793     15 #
       52.76   772     16 #

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : KBr disc

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1-(1-Naphtyl)-1H-1,2,3-triazole-4,5-dicarboxylic acid dimethyl ester(91165-85-4) 13C NMR

1-(1-Naphtyl)-1H-1,2,3-triazole-4,5-dicarboxylic acid dimethyl ester(91165-85-4) ¹³C NMR