AURANTIA(33012-29-2) IR2

Product NameAURANTIA

Molecular FormulaC12H5N7O12

Molecular Weight439.21

InChIInChI=1S/C12H5N7O12/c20-14(21)5-1-7(16(24)25)11(8(2-5)17(26)27)13-12-9(18(28)29)3-6(15(22)23)4-10(12)19(30)31/h1-4H,(H,20,21)

InChIKey XUWHNMNKYMHNKZ-UHFFFAOYSA-N

SmilesC1(N=C2C([N+]([O-])=O)=CC(=[N+]([O-])O)C=C2[N+]([O-])=O)=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C1[N+]([O-])=O |c:8,t:1|

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400 MHz in DMSO-d6

    Assign.     Shift(ppm)

      A             8.790
      B             7.10

     Hz     ppm     Int.

   3513.18   8.791   1000
   2886.81   7.224    234
   2835.69   7.096    244
   2784.58   6.968    236

in DMSO-d6

KBr disc

nujol mull

AURANTIA(33012-29-2) IR2 Atlas of Related Products

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