4,4'-DINITROSTILBENE(2501-02-2) ¹H NMR

Product Name4,4'-DINITROSTILBENE

CAS 2501-02-2

Molecular FormulaC14H10N2O4

Molecular Weight270.24

InChIInChI=1S/C14H10N2O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H

InChIKey CLVIIRIMEIEKOQ-UHFFFAOYSA-N

SmilesC(C1=CC=C([N+]([O-])=O)C=C1)=CC1=CC=C([N+]([O-])=O)C=C1

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Mass

MS-IW-8375          
4,4'-dinitrostilbene
C14H10N2O4          (Mass of molecular ion:    270)

   Source Temperature: 170 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      28.0       1.5
      30.0       1.0
      39.0       1.1
      50.0       1.5
      51.0       2.1
      63.0       4.1
      74.0       1.4
      75.0       3.2
      76.0       9.2
      77.0       1.3
      87.0       1.1
      88.0       3.1
      89.0       1.7
     102.0       1.5
     115.0       1.3
     126.0       1.6
     127.0       1.0
     128.0       1.1
     139.0       3.4
     150.0       3.2
     151.0       8.3
     152.0       9.1
     153.0       2.5
     154.0       1.3
     163.0       1.5
     164.0       1.8
     165.0      21.1
     166.0      17.6
     167.0       2.4
     175.0       1.9
     176.0      19.2
     177.0      18.0
     178.0      25.9
     179.0       4.0
     193.0       1.3
     194.0       2.9
     207.0       1.8
     223.0       2.1
     224.0       2.2
     240.0       9.1
     241.0       1.5
     254.0       1.9
     270.0     100.0
     271.0      16.1
     272.0       2.1

400 MHz in DMSO-d6 at +60.C

¹H NMR	399.65 MHz
C₁₄ H₁₀ N₂ O₄	saturated in DMSO-d₆ at 60 C
4,4'-dinitrostilbene

    Assign.     Shift(ppm)

      A             8.254
      B             7.929
      C             7.634

     Hz     ppm     Int.

   3305.79   8.272    115
   3303.47   8.266    854
   3301.39   8.261    271
   3299.93   8.258     63
   3296.51   8.249    302
   3294.43   8.244    969
   3291.99   8.238    104
   3290.89   8.235     31
   3177.00   7.950     52
   3174.93   7.945    146
   3172.61   7.939    885
   3170.53   7.934    281
   3165.53   7.921    271
   3163.57   7.916    771
   3161.01   7.910     94
   3160.03   7.907     31
   3055.54   7.646     31
   3051.03   7.635   1000
   3048.34   7.628     31

in DMSO-d6