2-Nitrodiphenylamine(119-75-5) ¹H NMR

Product Name2-Nitrodiphenylamine

CAS 119-75-5

Molecular FormulaC12H10N2O2

Molecular Weight214.22

InChIInChI=1S/C12H10N2O2/c15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-9,13H

InChIKey RUKISNQKOIKZGT-UHFFFAOYSA-N

SmilesC1(NC2=CC=CC=C2)=CC=CC=C1[N+]([O-])=O

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Mass

MS-NW-0677          
2-nitrodiphenylamine
C12H10N2O2          (Mass of molecular ion:    214)

   Source Temperature: 170 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       1.1
      27.0       2.1
      28.0       1.5
      30.0       1.0
      38.0       2.2
      39.0       7.0
      50.0       5.9
      51.0      18.0
      52.0       3.7
      53.0       1.3
      62.0       1.4
      63.0       5.1
      64.0       3.2
      65.0       3.8
      66.0       1.2
      69.5       2.1
      70.0       1.1
      70.5       2.4
      74.0       1.7
      75.0       2.0
      76.0       2.2
      77.0      18.3
      78.0       2.7
      82.5       1.3
      83.5       7.9
      84.0       4.3
      89.0       1.8
      90.0       2.5
      91.0       1.8
      92.0       1.5
      94.0       1.0
     113.0       1.0
     114.0       1.3
     115.0       3.1
     116.0       1.1
     118.0       1.6
     127.0       1.3
     128.0       2.2
     129.0       2.4
     130.0       1.0
     131.0       1.0
     132.0       1.8
     139.0       7.6
     140.0       5.9
     141.0       1.8
     154.0       2.2
     155.0       1.2
     156.0       2.4
     157.0       4.1
     160.0       1.5
     166.0      14.5
     167.0      67.1
     168.0      20.1
     169.0      20.6
     170.0       2.5
     179.0       2.5
     180.0      22.0
     181.0       7.7
     182.0       1.3
     183.0       2.6
     184.0       1.4
     185.0       1.9
     197.0      12.0
     198.0       1.6
     214.0     100.0
     215.0      14.2
     216.0       1.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₂ H₁₀ N₂ O₂	0.047 g : 0.5 ml CDCl₃
2-nitrodiphenylamine

    Assign.     Shift(ppm)

      A             9.47
      B             8.18
      C          7.54 to 7.07
      D             6.75

     Hz     ppm     Int.

    847.56   9.464     83
    737.94   8.240    187
    736.63   8.225    197
    729.25   8.143    196
    728.19   8.131    211
    673.19   7.517     46
    671.69   7.500     74
    669.44   7.475     71
    667.31   7.451     77
    666.13   7.438    129
    665.00   7.426    158
    663.88   7.413    210
    662.88   7.402    250
    661.63   7.388    209
    657.13   7.338    696
    652.63   7.288   1000
    649.19   7.249    456
    647.75   7.233    565
    646.13   7.215    296
    644.63   7.198    297
    640.56   7.153    160
    638.56   7.130    107
    636.56   7.108     48
    612.69   6.842    148
    610.88   6.821    140
    606.25   6.770    125
    604.25   6.747    218
    602.25   6.725    133
    597.81   6.675    111
    595.88   6.654    107

in CDCl3