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Back ChemicalBook Home>CAS DataBase List>554-84-7More Spectrum> 3-Nitrophenol(554-84-7) 13C NMR

3-Nitrophenol(554-84-7) 13C NMR

Product Name3-Nitrophenol

CAS554-84-7

Molecular FormulaC6H5NO3

Molecular Weight139.11

InChIInChI=1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H

InChIKey RTZZCYNQPHTPPL-UHFFFAOYSA-N

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


  • Mass

    MS-NW-1731          
    m-nitrophenol
    C6H5NO3             (Mass of molecular ion:    139)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          18.0       1.9
          26.0       1.5
          27.0       4.4
          28.0       2.9
          29.0       1.9
          30.0       7.9
          37.0       4.2
          38.0      10.6
          39.0      57.5
          40.0       2.4
          42.0       1.0
          46.0       1.1
          49.0       1.0
          50.0       5.2
          51.0       4.2
          52.0       1.9
          53.0      10.2
          55.0       2.3
          61.0       3.2
          62.0       6.8
          63.0      17.8
          64.0       9.1
          65.0      88.9
          66.0       6.3
          67.0       1.2
          69.0       1.0
          74.0       2.6
          75.0       2.2
          81.0      19.7
          82.0       1.1
          92.0       3.2
          93.0      60.3
          94.0       4.6
         109.0       3.4
         123.0       1.0
         139.0     100.0
         140.0       7.1
    

in CDCl3



KBr disc



nujol mull



4880 A,200 M,powder



ANION RADICAL, ELECTROREDUCTION IN CH3CN



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