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Back ChemicalBook Home>CAS DataBase List>88-75-5More Spectrum> 2-Nitrophenol(88-75-5) Raman

2-Nitrophenol(88-75-5) Raman

Product Name2-Nitrophenol

CAS88-75-5

Molecular FormulaC6H5NO3

Molecular Weight139.11

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

InChIKey IQUPABOKLQSFBK-UHFFFAOYSA-N

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


  • Mass

    MS-NW-8718          
    o-nitrophenol
    C6H5NO3             (Mass of molecular ion:    139)
    

       Source Temperature: 260 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          26.0       1.5
          27.0       3.9
          28.0       3.0
          29.0       1.1
          30.0       5.0
          37.0       3.3
          38.0       9.2
          39.0      32.9
          40.0       1.5
          50.0       4.2
          51.0       7.8
          52.0       3.9
          53.0      13.2
          54.0       1.1
          55.0       1.2
          61.0       2.2
          62.0       5.6
          63.0      25.5
          64.0      22.7
          65.0      41.9
          66.0       4.5
          67.0       1.1
          74.0       1.4
          75.0       1.6
          77.0       1.0
          78.0       4.3
          81.0      19.9
          82.0       1.1
          92.0       8.8
          93.0      12.4
          94.0       5.6
         106.0       3.2
         109.0      18.8
         110.0       1.3
         122.0       7.3
         123.0       1.6
         139.0     100.0
         140.0       7.1
    

parameter in CDCl3

90 MHz in CDCl3


  • 1H NMR 300 MHz
    C6 H5 N O3 0.042 g : 0.5 ml CDCl3
    o-nitrophenol
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 10.57 D(B) 8.103 D(C) 7.575 D(D) 7.161 D(E) 6.995 J(A,B) 0.0 J(A,C) 0.4 J(A,D) 0.0 J(A,E) 0.0 J(B,C) 1.7 J(B,D) 0.4 J(B,E) 8.4 J(C,D) 8.5 J(C,E) 8.5 J(D,E) 1.5

         Hz     ppm     Int.
    

       3170.99  10.570   1000
       2435.98   8.120    258
       2434.38   8.115    264
       2427.60   8.092    281
       2425.97   8.087    276
       2282.05   7.607    120
       2280.45   7.601    119
       2273.56   7.579    268
       2271.93   7.573    268
       2265.08   7.550    152
       2263.45   7.545    154
       2153.09   7.177    282
       2151.77   7.173    301
       2144.61   7.149    249
       2143.25   7.144    258
       2107.52   7.025    192
       2106.06   7.020    180
       2099.10   6.997    346
       2097.61   6.992    331
       2090.65   6.969    164
       2089.16   6.964    156
    


  • 1H NMR 89.56 MHz
    C6 H5 N O3 0.042 g : 0.5 ml CDCl3
    o-nitrophenol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.57 B 8.103 C 7.575 D 7.161 E 6.995 J(A,C)=0.4HZ. J(B,C)=1.7HZ. J(B,D)=0.4HZ. J(B,E)=8.4HZ. J(C,D)=8.5HZ. J(C,E)=8.5HZ. J(D,E)=1.5HZ.

         Hz     ppm     Int.
    

        946.75  10.572   1000
        946.31  10.567    962
        731.25   8.165    174
        730.88   8.161    169
        729.56   8.147    203
        729.19   8.142    177
        722.81   8.071    202
        722.44   8.067    193
        721.06   8.052    235
        688.50   7.688     86
        688.06   7.683     83
        686.81   7.669     87
        686.38   7.664     80
        681.50   7.610    107
        681.06   7.605    102
        679.63   7.589    188
        678.31   7.574    133
        677.88   7.570    123
        673.00   7.515    168
        672.56   7.510    161
        671.25   7.495    159
        670.81   7.491    143
        645.75   7.211    226
        645.31   7.206    246
        644.25   7.194    330
        643.88   7.190    299
        637.25   7.116    182
        636.81   7.111    182
        635.75   7.099    195
        635.38   7.095    181
        633.94   7.079    284
        632.50   7.063    213
        626.94   7.001    208
        625.50   6.985    399
        624.06   6.969    199
        618.44   6.906    173
        617.00   6.890    157
    

in CDCl3



CCl4 solution



KBr disc



nujol mull



4880 A,200 M,powder



ANION RADICAL, ELECTROLYTIC REDUCTION IN DMF



2-Nitrophenol(88-75-5) Raman Atlas of Related Products

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