2,4-DINITROPHENETOLE(610-54-8) ¹³C NMR

Product Name2,4-DINITROPHENETOLE

CAS 610-54-8

Molecular FormulaC8H8N2O5

Molecular Weight212.16

InChIInChI=1S/C8H8N2O5/c1-2-15-8-4-3-6(9(11)12)5-7(8)10(13)14/h3-5H,2H2,1H3

InChIKey YSOKMOXAGMIZFZ-UHFFFAOYSA-N

SmilesC1(OCC)=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O

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¹HNMR

¹³CNMR

Mass

MS-KW-0718          
1-ethoxy-2,4-dinitrobenzene
C8H8N2O5            (Mass of molecular ion:    212)

   Source Temperature: 250 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      26.0       1.7
      27.0      12.1
      28.0       5.6
      29.0      37.1
      30.0      18.2
      37.0       1.3
      38.0       3.9
      39.0       5.1
      41.0       1.7
      42.0       2.1
      43.0       3.5
      44.0       1.5
      45.0       4.2
      50.0       4.3
      51.0       7.9
      52.0       4.2
      53.0       9.1
      54.0       2.4
      55.0       2.7
      61.0       1.7
      62.0       7.2
      63.0      18.4
      64.0       6.2
      65.0       2.5
      66.0       1.3
      67.0       2.8
      68.0       1.9
      69.0       1.0
      70.0       1.7
      73.0       1.0
      74.0       3.8
      75.0       4.8
      76.0       4.5
      77.0       2.6
      79.0      14.1
      80.0       3.6
      82.0       1.4
      91.0      25.7
      92.0      10.7
      93.0       6.7
      96.0       1.3
     105.0       1.4
     107.0      29.7
     108.0       4.7
     121.0       1.0
     122.0       1.2
     138.0       4.1
     151.0       4.3
     154.0      21.2
     155.0       1.5
     167.0       2.2
     168.0      22.4
     169.0       2.5
     184.0     100.0
     185.0       7.6
     186.0       1.3
     212.0      18.0
     213.0       2.0

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