4-NITROBENZOYL-GLYCYL-GLYCINE(78196-53-9) IR1

Product Name4-NITROBENZOYL-GLYCYL-GLYCINE

CAS 78196-53-9

Molecular FormulaC11H11N3O6

Molecular Weight281.22

InChIInChI=1S/C11H11N3O6/c15-9(12-6-10(16)17)5-13-11(18)7-1-3-8(4-2-7)14(19)20/h1-4H,5-6H2,(H,12,15)(H,13,18)(H,16,17)

InChIKey WQJHGFSTRONKLC-UHFFFAOYSA-N

SmilesC(O)(=O)CNC(=O)CNC(=O)C1=CC=C([N+]([O-])=O)C=C1

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    Assign.     Shift(ppm)

      A            13.
      B             9.16
      C             8.35
      D             8.3
      E             8.135
      F             3.974
      G             3.808

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

       ppm   Int.  Assign.

       171.10   451     1
       168.99   467     2
       164.92   403     3
       149.09   376     4
       139.64   424     5
       128.86   994     6
       123.41  1000     7
        42.52   586     8
        40.83   198     9
     
     signal 9 overlapped by solvent

Spectral Code: 13C NMR : in DMSO-d6

Spectral Code: IR : KBr disc

Spectral Code: Raman : 4880 A,200 M,powder

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