(+)-ALPHA-(2,4,5,7-TETRANITRO-9-FLUORENYLIDENEAMINOXY)PROPIONIC ACID(50996-73-1) MS

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-/m0/s1

InChIKey MQTMHRXULFJFOC-LURJTMIESA-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

Request For Quotation

¹HNMR

IR1

IR2

Mass

MS-NW-7999          
(+)-2-(2,4,5,7-tetranitro-9-fluorenylideneaminooxy)propionic acid
C16H9N5O11          (Mass of molecular ion:    447)

   Source Temperature: 210 °C
   Sample Temperature: 210 °C
   Direct, 75 eV

      12.0       2.5
      13.0       2.1
      14.0       7.2
      15.0      25.5
      16.0      10.0
      17.0      15.1
      18.0      55.8
      19.0       5.8
      22.0       1.4
      25.0       1.7
      26.0       5.4
      27.0      14.2
      28.0      20.6
      29.0      33.0
      30.0      68.6
      31.0       1.7
      38.0       1.9
      39.0       3.9
      41.0       3.2
      42.0       7.3
      43.0      56.3
      44.0     100.0
      45.0      35.4
      46.0       3.0
      50.0       3.7
      51.0       3.9
      52.0       3.4
      53.0       7.1
      54.0       1.4
      55.0       7.4
      60.0       1.1
      61.0       2.7
      62.0       8.5
      63.0       9.3
      64.0       2.8
      65.0       1.3
      66.0       1.4
      67.0       2.5
      68.0       2.1
      69.0       7.4
      72.0       3.3
      73.0       4.5
      74.0      16.8
      75.0       8.5
      76.0       5.6
      77.0       2.8
      81.0       1.2
      82.0       2.5
      85.0       2.6
      86.0      21.4
      87.0      10.6
      88.0      12.3
      89.0       2.6
      90.0       1.4
      98.0      11.0
      99.0       8.8
     100.0       8.2
     101.0       2.6
     102.0       1.1
     104.0       1.3
     109.0       1.7
     110.0      14.8
     111.0       8.6
     112.0      12.1
     113.0       4.3
     114.0       1.8
     116.0       1.4
     122.0       4.3
     123.0       6.8
     124.0      10.1
     125.0       3.9
     126.0       2.2
     127.0       1.0
     128.0       1.0
     134.0       4.1
     135.0       8.0
     136.0      16.6
     137.0       7.9
     138.0       5.4
     139.0       3.0
     140.0       1.1
     142.0       1.1
     146.0       3.0
     147.0       2.9
     148.0       3.6
     149.0       2.5
     150.0       5.6
     151.0      12.9
     152.0       4.0
     153.0       1.9
     154.0       1.0
     160.0       1.6
     161.0       1.3
     162.0      19.9
     163.0      30.8
     164.0      14.8
     165.0       4.2
     166.0       1.7
     167.0       2.6
     175.0       1.2
     176.0       1.7
     177.0       1.2
     178.0       3.1
     179.0       8.8
     180.0       4.3
     181.0       2.6
     182.0       3.2
     189.0       2.0
     190.0       5.5
     191.0      41.0
     192.0      17.1
     193.0      10.2
     194.0       4.5
     195.0       9.9
     196.0       1.9
     206.0       3.9
     207.0      12.0
     208.0       3.8
     209.0       2.5
     210.0       1.7
     216.0       3.0
     221.0       6.4
     222.0       5.2
     223.0       2.9
     224.0       1.1
     225.0       1.7
     226.0       1.0
     234.0       1.9
     235.0       2.7
     236.0      10.0
     237.0       9.6
     238.0      21.2
     239.0       6.3
     240.0       1.5
     252.0       1.2
     253.0       3.9
     254.0       5.2
     255.0       5.3
     256.0       5.0
     267.0       4.1
     268.0       3.4
     280.0      12.8
     281.0       2.7
     282.0       7.3
     283.0       1.7
     284.0       2.4
     299.0       1.1
     300.0       3.2
     312.0       1.1
     313.0      89.2
     314.0      36.2
     315.0       6.2
     316.0       1.0
     326.0      17.6
     327.0       3.4
     328.0       1.0
     329.0       3.7
     330.0       1.6
     339.0       1.0
     343.0       1.4
     359.0      18.5
     360.0       9.3
     361.0       1.7
     402.0      23.9
     403.0       4.4
     404.0       1.2
     447.0       1.2

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₆ H₉ N₅ O₁₁	0.035 g : 0.5 ml DMSO-d₆
(+)-2-(2,4,5,7-tetranitro-9-fluorenylideneaminooxy)propionic acid

    Assign.     Shift(ppm)

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

     Hz     ppm     Int.

   3770.88   9.436    441
   3768.96   9.431    471
   3576.64   8.950    451
   3574.51   8.945    455
   3539.46   8.857    405
   3537.54   8.852    481
   3519.59   8.807     25
   3515.10   8.796    468
   3513.18   8.791    421
   2132.78   5.337     80
   2125.94   5.320    354
   2118.89   5.302    371
   2111.84   5.285     83
    699.17   1.750   1000
    692.12   1.732    979

KBr disc

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