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Back ChemicalBook Home>CAS DataBase List>33012-29-2More Spectrum> AURANTIA(33012-29-2) IR1

33012-29-2

AURANTIA(33012-29-2) IR1

Product NameAURANTIA

CAS33012-29-2

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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1HNMR

13CNMR

IR1

IR2

400 MHz in DMSO-d6

  • AURANTIA(33012-29-2) IR1

    1H NMR 399.65 MHz
    C12 H8 N8 O12 0.039 g : 0.5 ml DMSO-d6
    aurantia
    ChemicalStructure 
        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

  • AURANTIA(33012-29-2) IR1

KBr disc

  • AURANTIA(33012-29-2) IR1

nujol mull

  • AURANTIA(33012-29-2) IR1

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AURANTIA(33012-29-2) IR1 Atlas of Related Products

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