3,6-dinitrophthalic acid monopyridinium salt(87550-19-4) Raman

Product Name3,6-dinitrophthalic acid monopyridinium salt

Molecular Formula

Molecular Weight

InChIInChI=1S/C8H4N2O8.C5H5N/c11-7(12)5-3(9(15)16)1-2-4(10(17)18)6(5)8(13)14;1-2-4-6-5-3-1/h1-2H,(H,11,12)(H,13,14);1-5H

InChIKey QAHUDENYBOPMCG-UHFFFAOYSA-N

SmilesC1=[NH+]C=CC=C1.C([O-])(=O)C1=C([N+]([O-])=O)C=CC([N+]([O-])=O)=C1C(O)=O

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400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₄ N₂ O₈	0.041 g : 0.5 ml DMSO-d₆
monopyridinium 3,6-dinitrophthalate

    Assign.     Shift(ppm)

      A            10.5
      B             8.67
      C             8.351
      D             7.962
      E             7.542

     Hz     ppm     Int.

   4190.85  10.487     28
   3464.23   8.669     87
   3337.84   8.352   1000
   3191.86   7.987     30
   3190.21   7.983     57
   3188.56   7.979     35
   3184.17   7.968     60
   3182.52   7.964    122
   3180.87   7.960     70
   3176.66   7.949     37
   3174.82   7.945     69
   3173.18   7.940     43
   3020.78   7.559    109
   3014.92   7.544    128
   3013.27   7.540    127
   3007.41   7.526    106

in DMSO-d6

KBr disc

nujol mull

4880 A,200 M,powder

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