23197-55-9

4,4'-(Propane-2,2-diyl)bis(2,6-dinitrophenol)(23197-55-9) IR2

Product Name4,4'-(Propane-2,2-diyl)bis(2,6-dinitrophenol)

Molecular FormulaC15H12N4O10

Molecular Weight408.28

InChIInChI=1S/C15H12N4O10/c1-15(2,7-3-9(16(22)23)13(20)10(4-7)17(24)25)8-5-11(18(26)27)14(21)12(6-8)19(28)29/h3-6,20-21H,1-2H3

InChIKey XGDRLUOCCGMFEF-UHFFFAOYSA-N

SmilesC(C1=CC([N+]([O-])=O)=C(O)C([N+]([O-])=O)=C1)(C1=CC([N+]([O-])=O)=C(O)C([N+]([O-])=O)=C1)(C)C

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4,4'-(Propane-2,2-diyl)bis(2,6-dinitrophenol)(23197-55-9) IR2
Mass

MS-IW-3544          
4,4'-isopropylidenebis(2,6-dinitrophenol)
C15H12N4O10         (Mass of molecular ion:    408)

   Source Temperature: 160 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      17.0       1.7
      18.0       8.1
      27.0       1.9
      28.0       4.8
      30.0       6.9
      39.0       5.0
      41.0       3.4
      43.0       3.7
      44.0       3.2
      50.0       1.9
      51.0       6.2
      52.0       2.2
      53.0      11.6
      55.0       1.5
      62.0       3.7
      63.0       9.1
      64.0       3.2
      65.0       4.3
      66.0       1.3
      67.0       1.4
      69.0       1.0
      74.0       1.5
      75.0       4.2
      76.0       4.5
      77.0      11.6
      78.0       4.0
      79.0       3.4
      87.0       2.0
      88.0       1.7
      89.0       5.4
      90.0       2.4
      91.0       6.1
      92.0       1.4
      99.0       1.3
     101.0       2.9
     102.0       3.4
     103.0       4.3
     104.0       1.8
     105.0       2.4
     113.0       2.3
     114.0       2.6
     115.0       6.3
     116.0       2.2
     117.0       1.5
     118.0       1.2
     119.0       1.3
     125.0       1.8
     126.0       5.6
     127.0       6.8
     128.0       4.8
     129.0       1.9
     130.0       1.2
     131.0       1.3
     132.0       1.6
     133.0       7.7
     134.0       2.1
     137.0       1.0
     138.0       2.0
     139.0       9.2
     140.0       7.2
     141.0       3.5
     142.0       1.5
     143.0       1.5
     150.0       3.6
     151.0       7.1
     152.0      11.7
     153.0       8.4
     154.0       3.7
     155.0       2.5
     156.0       1.5
     163.0       2.3
     164.0       3.8
     165.0       5.6
     166.0       3.9
     167.0       2.9
     168.0       2.9
     169.0       2.4
     170.0       1.3
     179.0       6.8
     180.0       4.7
     181.0       3.8
     182.0       3.4
     183.0       1.8
     184.0       1.6
     193.0       1.2
     194.0       2.0
     195.0       2.6
     196.0       2.1
     197.0       4.6
     198.0       1.2
     207.0       1.2
     208.0       2.4
     209.0       6.2
     210.0       2.8
     211.0       2.8
     212.0       1.0
     222.0       1.3
     223.0       1.3
     224.0       2.1
     225.0       9.0
     226.0       1.7
     227.0       1.5
     238.0       1.1
     239.0       1.0
     254.0       1.7
     255.0       2.4
     256.0       1.4
     283.0       2.8
     301.0       1.5
     302.0       3.7
     347.0      15.2
     348.0      28.2
     349.0       4.9
     363.0       5.0
     364.0       1.0
     377.0       1.3
     378.0       1.5
     393.0     100.0
     394.0      17.1
     395.0       3.3
     408.0      17.2
     409.0       3.2

parameter in DMSO-d6

4,4'-(Propane-2,2-diyl)bis(2,6-dinitrophenol)(23197-55-9) IR2

¹H NMR	300 MHz
C₁₅ H₁₂ N₄ O₁₀	0.036 g : 0.5 ml DMSO-d₆
4,4'-isopropylidenebis(2,6-dinitrophenol)

    Parameter     ppm  Hz

      D(A)         8.096
     
      D(B)         5.
     
      D(C)         1.726

     Hz     ppm     Int.

   2428.82   8.096    667
    517.81   1.726   1000

in CDCl3

KBr disc

nujol mull

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