5833-18-1

BIS(2,4-DINITROPHENYL)ACETIC ACID ETHYL ESTER(5833-18-1) IR1

Product NameBIS(2,4-DINITROPHENYL)ACETIC ACID ETHYL ESTER

Molecular FormulaC16H12N4O10

Molecular Weight420.29

InChIInChI=1S/C16H12N4O10/c1-2-30-16(21)15(11-5-3-9(17(22)23)7-13(11)19(26)27)12-6-4-10(18(24)25)8-14(12)20(28)29/h3-8,15H,2H2,1H3

InChIKey CMVIALRRHVVWIW-UHFFFAOYSA-N

SmilesC(C(=O)OCC)(C1=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O)C1C=CC([N+]([O-])=O)=CC=1[N+]([O-])=O

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¹HNMR

¹³CNMR

IR1

BIS(2,4-DINITROPHENYL)ACETIC ACID ETHYL ESTER(5833-18-1) IR1

    Assign.     Shift(ppm)

      A             8.991
      B             8.467
      C             7.440
      D             6.46
      E             4.285
      F             1.271

Spectral Code: 1H NMR : 90 MHz in CDCl3

BIS(2,4-DINITROPHENYL)ACETIC ACID ETHYL ESTER(5833-18-1) IR1

       ppm   Int.  Assign.

      168.38   396      1
      149.03   486      2
      147.83   486      3
      137.39   802      4
      132.46  1000      5
      127.75   856      6
      121.33   658      7
       63.32   360      8
       50.64   369      9
       13.93   387     10

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : KBr disc

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