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Back ChemicalBook Home>CAS DataBase List>108-95-2More Spectrum> Phenol(108-95-2) Raman

Phenol(108-95-2) Raman

Product NamePhenol

CAS108-95-2

Molecular FormulaC6H6O

Molecular Weight94.11

InChIInChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H

InChIKey ISWSIDIOOBJBQZ-UHFFFAOYSA-N

SmilesC1(O)=CC=CC=C1


  • Mass

    MS-NW-9060          
    phenol
    C6H6O               (Mass of molecular ion:     94)
    

       Source Temperature: 260 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          27.0       1.9
          37.0       2.0
          38.0       4.0
          39.0      13.6
          40.0       8.8
          47.0       3.9
          50.0       3.1
          51.0       3.2
          53.0       2.1
          55.0       6.6
          61.0       1.1
          62.0       1.7
          63.0       3.5
          64.0       1.4
          65.0      16.8
          66.0      22.6
          67.0       1.5
          74.0       1.1
          93.0       1.5
          94.0     100.0
          95.0       6.6
    

in DMSO-d6

400 MHz in CDCl3




  • 1H NMR 399.65 MHz
    C6 H6 O 15.6 mg : 0.5 ml CDCl3
    phenol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.240 B 6.931 C 6.838 D 5.35

         Hz     ppm     Int.
    

       2901.98   7.262    581
       2901.00   7.259    227
       2899.78   7.256    219
       2896.85   7.249    144
       2895.75   7.246    432
       2894.53   7.243    870
       2893.31   7.240    786
       2890.99   7.234    153
       2887.94   7.227    274
       2886.72   7.224    341
       2885.86   7.221    722
       2777.95   6.951    196
       2776.98   6.949    344
       2775.88   6.946    203
       2770.75   6.933    269
       2769.53   6.930    588
       2768.68   6.928    268
       2763.18   6.915    167
       2762.21   6.912    274
       2761.11   6.909    156
       2739.50   6.855    129
       2738.65   6.853    167
       2737.30   6.850    851
       2736.21   6.847   1000
       2735.35   6.845    472
       2734.13   6.842    271
       2730.71   6.833    308
       2729.74   6.831    489
       2728.64   6.828    893
       2727.66   6.826    730
       2726.56   6.823    154
       2139.28   5.353    400
    

in DMSO-d6

in CDCl3





KBr disc



Liquid film



nujol mull



4880 A,200 M,powder



OXID. IN PRESENCE OF NITROSOBENZENE



Phenol(108-95-2) Raman Atlas of Related Products

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