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Back ChemicalBook Home>CAS DataBase List>618-47-3More Spectrum> M-TOLUAMIDE(618-47-3) 1H NMR

M-TOLUAMIDE(618-47-3) 1H NMR

Product NameM-TOLUAMIDE

CAS618-47-3

Molecular FormulaC8H9NO

Molecular Weight135.16

InChIInChI=1S/C8H9NO/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H2,9,10)

InChIKey WGRPQCFFBRDZFV-UHFFFAOYSA-N

SmilesC(N)(=O)C1=CC=CC(C)=C1


  • Mass

    MS-NW-9024          
    m-toluamide
    C8H9NO              (Mass of molecular ion:    135)
    

       Source Temperature: 260 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          38.0       1.0
          39.0       6.0
          41.0       1.3
          44.0       2.9
          50.0       2.2
          51.0       3.5
          52.0       1.0
          62.0       2.4
          63.0       6.4
          64.0       1.8
          65.0      17.7
          66.0       1.1
          77.0       1.8
          89.0       7.0
          90.0       5.1
          91.0      77.0
          92.0       6.5
         106.0       1.0
         116.0       2.6
         117.0       3.7
         118.0       1.4
         119.0     100.0
         120.0       9.0
         135.0      62.9
         136.0       6.2
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C8 H9 N O 0.036 g : 0.5 ml CDCl3
    m-toluamide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.66 B 7.65 C 7.35 D 7.34 E 6.6 F 2.357 CONFIRMED BY LAOCN PROGRAM

         Hz     ppm     Int.
    

        685.19   7.651    239
        683.88   7.637    188
        680.69   7.601    113
        679.50   7.588     79
        677.25   7.562     86
        676.69   7.556     83
        675.50   7.543     62
        658.38   7.352     80
        656.00   7.325    363
        655.13   7.315    254
        649.81   7.256    131
        590.94   6.599     50
        211.19   2.359   1000
    

in CDCl3



KBr disc



nujol mull





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