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Back ChemicalBook Home>CAS DataBase List>105-11-3More Spectrum> 1,4-Benzoquinone dioxime(105-11-3) IR3

105-11-3

1,4-Benzoquinone dioxime(105-11-3) IR3

Molecular FormulaC6H6N2O2

Molecular Weight138.12

InChIInChI=1S/C6H6N2O2/c9-7-5-1-2-6(8-10)4-3-5/h1-4,9-10H

InChIKey LNHURPJLTHSVMU-UHFFFAOYSA-N

SmilesC1(=NO)C=CC(=NO)C=C1

  • 1,4-Benzoquinone dioxime(105-11-3) IR3
    Mass

    MS-NW-4295          
    p-benzoquinone dioxime
    C6H6N2O2            (Mass of molecular ion:    138)
    

       Source Temperature: 140 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          17.0       1.7
          18.0       7.3
          26.0       3.5
          27.0       2.5
          28.0       4.6
          29.0       1.0
          30.0       3.6
          37.0       3.0
          38.0       3.8
          39.0      10.2
          40.0       3.9
          41.0       2.1
          42.0       2.0
          43.0       2.2
          44.0       1.9
          50.0       4.9
          51.0       8.0
          52.0      24.6
          53.0      16.5
          54.0       1.7
          61.0       1.4
          62.0       2.6
          63.0      11.0
          64.0       7.8
          65.0       8.1
          66.0       3.9
          67.0       1.1
          68.0       1.6
          69.0       2.2
          74.0       1.0
          75.0       1.1
          76.0       6.8
          77.0       6.0
          78.0      23.3
          79.0       4.5
          80.0       2.4
          81.0       1.2
          90.0       8.8
          91.0       6.9
          92.0       3.3
          95.0       3.4
         103.0       3.7
         106.0       1.9
         107.0       5.7
         108.0       8.5
         122.0       3.4
         123.0       2.0
         136.0       2.0
         137.0       1.2
         138.0     100.0
         139.0       7.6
    

400 MHz in DMSO-d6

  • 1,4-Benzoquinone dioxime(105-11-3) IR3

    1H NMR 399.65 MHz
    C6 H6 N2 O2 0.032 g : 0.5 ml DMSO-d6
    p-benzoquinone dioxime
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.15 B 12.13 C 7.264 D 7.149 E 6.767 F 6.671 MIXTURE OF ISOMERS.

         Hz     ppm     Int.
    

       4855.93  12.151   1000
       4852.26  12.142    147
       4848.78  12.133    561
       4842.55  12.117     35
       2904.10   7.267    445
       2903.19   7.265    413
       2902.46   7.263    425
       2899.16   7.255     30
       2863.26   7.165    436
       2861.24   7.160    395
       2857.58   7.151     37
       2853.00   7.139    463
       2851.17   7.135    485
       2710.13   6.782    477
       2708.30   6.777    430
       2705.00   6.769     41
       2704.64   6.768     39
       2703.90   6.766     40
       2700.06   6.757    400
       2698.04   6.752    404
       2667.27   6.675    432
       2666.17   6.672    410
       2665.44   6.670    411
    

at 80C

  • 1,4-Benzoquinone dioxime(105-11-3) IR3

KBr disc

  • 1,4-Benzoquinone dioxime(105-11-3) IR3

liquid film

  • 1,4-Benzoquinone dioxime(105-11-3) IR3

nujol mull

  • 1,4-Benzoquinone dioxime(105-11-3) IR3

1,4-Benzoquinone dioxime(105-11-3) IR3 Atlas of Related Products

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