1,4-Diacetamino-2-nitrobenzene(5345-53-9) IR1

Product Name1,4-Diacetamino-2-nitrobenzene

CAS 5345-53-9

Molecular FormulaC10H11N3O4

Molecular Weight237.21

InChIInChI=1S/C10H11N3O4/c1-6(14)11-8-3-4-9(12-7(2)15)10(5-8)13(16)17/h3-5H,1-2H3,(H,11,14)(H,12,15)

InChIKey WIBLBSKESAEFTC-UHFFFAOYSA-N

SmilesC1(NC(=O)C)=CC=C(NC(=O)C)C=C1[N+]([O-])=O

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¹HNMR

¹³CNMR

IR1

    Assign.     Shift(ppm)

      A     *1     10.3
      B     *1     10.1
      C             8.327
      D             7.752
      E             7.547
      F     *2      2.082
      G     *2      2.053

Spectral Code: 1H NMR : 400 MHz in DMSO-d6

       ppm   Int.  Assign.

      168.78   435      1 *
      168.42   449      2 *
      142.31   348      3
      136.28   514      4
      126.14  1000      5
                        6
      123.96   493      7
      114.35   486      8
       23.86   630      9 #
       23.23   659     10 #

Spectral Code: 13C NMR : in DMSO-d6

Spectral Code: IR : KBr disc

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