5-NITROISATOIC ANHYDRIDE, TECH.(20829-97-4) ¹³C NMR

Product Name5-NITROISATOIC ANHYDRIDE, TECH.

CAS 20829-97-4

Molecular FormulaC8H4N2O5

Molecular Weight208.13

InChIInChI=1S/C8H4N2O5/c11-7-6-4(9-8(12)15-7)2-1-3-5(6)10(13)14/h1-3H,(H,9,12)

InChIKey BGBLNERNAKQTDN-UHFFFAOYSA-N

SmilesN1C2=CC=CC([N+]([O-])=O)=C2C(=O)OC1=O

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¹HNMR

¹³CNMR

IR1

    Assign.     Shift(ppm)

      A            12.37
      B             8.564
      C             8.519
      D             7.303

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

       ppm   Int.  Assign.

       158.55   396     1
       146.43   830     2 *
       145.99  1000     3 *
       142.39   660     4
       131.18   528     5
       124.50   547     6
       116.61   735     7
       111.04   792     8

Spectral Code: 13C NMR : DMSO-d6

Spectral Code: IR : KBr disc

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5-NITROISATOIC ANHYDRIDE, TECH.(20829-97-4) 13C NMR

5-NITROISATOIC ANHYDRIDE, TECH.(20829-97-4) ¹³C NMR