50874-31-2

(-)-ALPHA-(2,4,5,7-TETRANITRO-9-FLUORENYLIDENEAMINOXY)PROPIONIC ACID(50874-31-2) IR2

Product Name(-)-ALPHA-(2,4,5,7-TETRANITRO-9-FLUORENYLIDENEAMINOXY)PROPIONIC ACID

Molecular FormulaC16H9N5O11

Molecular Weight447.27

InChIInChI=1S/C16H9N5O11/c1-6(16(22)23)32-17-15-9-2-7(18(24)25)4-11(20(28)29)13(9)14-10(15)3-8(19(26)27)5-12(14)21(30)31/h2-6H,1H3,(H,22,23)/t6-/m1/s1

InChIKey MQTMHRXULFJFOC-ZCFIWIBFSA-N

SmilesC(O)(=O)[C@H](O/N=C1/C2=C(C([N+]([O-])=O)=CC([N+]([O-])=O)=C2)C2=C/1C=C([N+]([O-])=O)C=C2[N+]([O-])=O)C

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¹HNMR

IR1

IR2

400 MHz in DMSO-d6

(-)-ALPHA-(2,4,5,7-TETRANITRO-9-FLUORENYLIDENEAMINOXY)PROPIONIC ACID(50874-31-2) IR2

¹H NMR	399.65 MHz
C₁₆ H₉ N₅ O₁₁	0.033 g : 0.5 ml DMSO-d₆
(-)-2-(2,4,5,7-tetranitro-9-fluorenylideneaminooxy)propionic acid

    Assign.     Shift(ppm)

      A            13.4
      B     *1      9.432
      C     *1      8.946
      D     *1      8.853
      E     *1      8.793
      F             5.310
      G             1.740

     Hz     ppm     Int.

   3770.88   9.436    555
   3768.96   9.431    603
   3576.64   8.950    603
   3574.51   8.945    611
   3539.46   8.857    538
   3537.54   8.852    637
   3515.10   8.796    616
   3513.18   8.791    555
   2132.78   5.337     79
   2125.73   5.319    327
   2118.89   5.302    341
   2111.84   5.285     86
    699.17   1.750   1000
    692.12   1.732    992

KBr disc

nujol mull

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