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Back ChemicalBook Home>CAS DataBase List>329-71-5More Spectrum> 2,5-DINITROPHENOL(329-71-5) MS

329-71-5

2,5-DINITROPHENOL(329-71-5) MS

Product Name2,5-DINITROPHENOL

CAS329-71-5

Molecular FormulaC6H4N2O5

Molecular Weight184.11

InChIInChI=1S/C6H4N2O5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H

InChIKey UWEZBKLLMKVIPI-UHFFFAOYSA-N

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

  • 2,5-DINITROPHENOL(329-71-5) MS
    Mass

    MS-NW-8245          
    2,5-dinitrophenol
    C6H4N2O5            (Mass of molecular ion:    184)
    

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

          18.0       1.3
          26.0       1.6
          27.0       1.0
          28.0       4.5
          29.0       2.5
          30.0      50.0
          37.0       3.6
          38.0      10.2
          39.0      23.4
          40.0       2.2
          42.0       1.0
          44.0       1.8
          45.0       5.2
          46.0       1.4
          50.0       6.6
          51.0      17.4
          52.0       7.8
          53.0      27.0
          54.0       1.9
          55.0       1.8
          61.0       3.7
          62.0      12.9
          63.0      31.6
          64.0      12.8
          65.0       1.7
          66.0       2.4
          67.0       1.4
          68.0       2.1
          69.0       1.6
          74.0       1.3
          75.0       1.1
          76.0       1.8
          77.0       4.6
          79.0       4.2
          80.0       2.8
          91.0       6.1
          92.0       4.3
          93.0       4.5
          96.0       1.6
         108.0       1.6
         138.0       1.9
         154.0       1.5
         168.0       1.1
         184.0     100.0
         185.0       8.5
         186.0       1.3
    

90 MHz in CDCl3

  • 2,5-DINITROPHENOL(329-71-5) MS

    1H NMR 89.56 MHz
    C6 H4 N2 O5 0.045 g : 0.5 ml CDCl3
    2,5-dinitrophenol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.61 B 8.331 C 8.032 D 7.833 J(B,C)=0.4HZ J(B,D)=9.2HZ J(C,D)=2.4HZ

         Hz     ppm     Int.
    

        950.06  10.609   1000
        751.94   8.396    389
        751.56   8.392    395
        742.75   8.294    574
        742.38   8.290    590
        720.69   8.048    456
        718.63   8.025    604
        714.50   7.978     62
        706.44   7.888    519
        704.00   7.861    401
        697.25   7.786    351
        694.81   7.759    294
    

in CDCl3

  • 2,5-DINITROPHENOL(329-71-5) MS

KBr disc

  • 2,5-DINITROPHENOL(329-71-5) MS

nujol mull

  • 2,5-DINITROPHENOL(329-71-5) MS

4880 A,200 M,powder

  • 2,5-DINITROPHENOL(329-71-5) MS

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