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Back ChemicalBook Home>CAS DataBase List>608-25-3More Spectrum> 2-Methylresorcinol(608-25-3) 13C NMR

2-Methylresorcinol(608-25-3) 13C NMR

Product Name2-Methylresorcinol

CAS608-25-3

Molecular FormulaC7H8O2

Molecular Weight124.14

InChIInChI=1S/C7H8O2/c1-5-6(8)3-2-4-7(5)9/h2-4,8-9H,1H3

InChIKey ZTMADXFOCUXMJE-UHFFFAOYSA-N

SmilesC1(O)=CC=CC(O)=C1C


  • Mass

    MS-NW-0135          
    2,6-dihydroxytoluene
    C7H8O2              (Mass of molecular ion:    124)
    

       Source Temperature: 150 °C
       Sample Temperature:   0 °C
       Direct, 75 eV
    

          26.0       1.1
          27.0       5.0
          29.0       1.8
          37.0       1.2
          38.0       3.1
          39.0      11.3
          40.0       2.6
          41.0       7.3
          43.0       2.9
          50.0       2.9
          51.0       7.3
          52.0       3.7
          53.0       3.1
          55.0       5.9
          62.0       2.5
          63.0       1.9
          65.0       4.2
          66.0       4.3
          67.0      10.0
          68.0       2.0
          69.0       5.8
          74.0       1.0
          77.0      10.7
          78.0      16.0
          79.0       3.3
          81.0       3.0
          82.0       1.1
          94.0       2.6
          95.0      19.0
          96.0       9.4
         105.0       8.3
         106.0      10.5
         107.0      10.0
         123.0      45.3
         124.0     100.0
         125.0       8.1
         138.0       1.7
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C7 H8 O2 0.046 g : 0.5 ml CDCl3
    2,6-dihydroxytoluene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.139 B 4.73 C 6.39 D 6.909

         Hz     ppm     Int.
    

        628.25   7.015     53
        627.69   7.009     56
        620.75   6.932     63
        620.38   6.927     82
        619.56   6.918     91
        618.94   6.911     81
        612.13   6.835    101
        611.56   6.829    108
        611.00   6.823     51
        575.81   6.430    378
        568.44   6.348    169
        568.00   6.343    219
        567.56   6.338    210
        567.19   6.334    165
        423.88   4.733    348
        421.00   4.701     52
        191.88   2.143   1000
        191.38   2.137    992
    

in CDCl3



KBr disc





nujol mull



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