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Back ChemicalBook Home>CAS DataBase List>824-98-6More Spectrum> 3-Methoxybenzyl chloride(824-98-6) 13C NMR

3-Methoxybenzyl chloride(824-98-6) 13C NMR

Molecular FormulaC8H9ClO

Molecular Weight156.61

InChIInChI=1S/C8H9ClO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6H2,1H3

InChIKey VGISFWWEOGVMED-UHFFFAOYSA-N

SmilesC1(CCl)=CC=CC(OC)=C1


  • Mass

    MS-NW-7794          
    m-(chloromethyl)anisole
    C8H9ClO             (Mass of molecular ion:    156)
    

       Source Temperature: 240 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.3
          27.0       1.1
          38.0       2.1
          39.0       5.7
          50.0       3.6
          51.0       8.3
          52.0       4.3
          62.0       1.7
          63.0       4.2
          64.0       1.4
          65.0       4.7
          75.0       1.0
          77.0      14.8
          78.0       9.9
          79.0       1.0
          89.0       4.1
          90.0       2.0
          91.0      24.0
          92.0       2.1
         105.0       1.0
         106.0       2.1
         113.0       1.1
         121.0     100.0
         122.0       9.8
         125.0       2.3
         155.0       1.2
         156.0      39.1
         157.0       3.8
         158.0      12.5
         159.0       1.1
    

400 MHz in CDCl3

90 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C8 H9 Cl O 0.05 ml : 0.5 ml CDCl3
    m-(chloromethyl)anisole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.226 B 6.925 C 6.901 D 6.826 E 4.503 F 3.749

         Hz     ppm     Int.
    

       2896.36   7.248    104
       2888.55   7.228    167
       2880.62   7.208    131
       2771.61   6.936    113
       2770.87   6.934    108
       2763.92   6.916    111
       2763.43   6.915    106
       2760.13   6.907    125
       2757.69   6.901    166
       2756.10   6.897    125
       2733.76   6.841     89
       2733.03   6.839     97
       2731.20   6.834     83
       2730.47   6.833     84
       2725.59   6.820     80
       2724.73   6.818     87
       2723.02   6.814     77
       2722.17   6.812     78
       1799.93   4.504    608
       1498.54   3.750   1000
    


  • 1H NMR 89.56 MHz
    C8 H9 Cl O 0.05 ml : 0.5 ml CDCl3
    m-(chloromethyl)anisole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.21 B 6.90 C 6.88 D 6.84 E 4.498 F 3.742 B,C AND D WERE CONFIRMED BY LAOCN PROGRAM.

         Hz     ppm     Int.
    

        655.56   7.320     40
        647.75   7.233    108
        645.75   7.211     24
        641.63   7.165     45
        639.75   7.144    103
        623.31   6.960     81
        622.88   6.955     84
        622.25   6.948     83
        621.81   6.943     87
        620.06   6.924     57
        617.75   6.898    146
        615.81   6.876    232
        613.38   6.849     51
        608.00   6.789     49
        606.75   6.775     44
        605.69   6.763     35
        604.38   6.749     29
        406.88   4.544     21
        402.94   4.500    453
        335.31   3.744   1000
    

in CDCl3



liquid film



4880 A,200 M,liquid



3-Methoxybenzyl chloride(824-98-6) 13C NMR Atlas of Related Products

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