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Back ChemicalBook Home>CAS DataBase List>642-71-7More Spectrum> 3,4,5-Trimethoxyphenol(642-71-7) IR1

642-71-7

3,4,5-Trimethoxyphenol(642-71-7) IR1

Molecular FormulaC9H12O4

Molecular Weight184.19

InChIInChI=1S/C9H12O4/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5,10H,1-3H3

InChIKey VTCDZPUMZAZMSB-UHFFFAOYSA-N

SmilesC1(O)=CC(OC)=C(OC)C(OC)=C1

  • 3,4,5-Trimethoxyphenol(642-71-7) IR1
    Mass

    MS-NW-7382          
    3,4,5-trimethoxyphenol
    C9H12O4             (Mass of molecular ion:    184)
    

       Source Temperature: 210 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          15.0       2.2
          27.0       1.4
          29.0       1.7
          38.0       1.9
          39.0       4.7
          41.0       1.2
          42.0       1.1
          43.0       1.5
          50.0       1.9
          51.0       1.9
          52.0       1.5
          53.0       6.0
          54.0       1.5
          55.0       5.0
          59.0       2.5
          65.0       3.0
          66.0       1.8
          69.0      22.8
          70.0       1.0
          80.0       1.5
          81.0       3.3
          82.0       1.2
          83.0       1.0
          85.0       1.4
          93.0       1.6
          95.0       2.8
          96.0       1.1
          97.0       1.7
          98.0       1.7
         108.0       2.2
         109.0       9.8
         110.0       1.4
         111.0      20.6
         112.0       1.5
         123.0       1.9
         124.0       3.8
         125.0       2.7
         126.0      19.0
         127.0       1.8
         137.0       1.1
         138.0       2.3
         139.0       1.2
         140.0       1.5
         141.0      39.9
         142.0       3.1
         153.0       1.7
         154.0       1.8
         155.0       1.9
         168.0       5.9
         169.0     100.0
         170.0       9.5
         171.0       1.3
         183.0       2.1
         184.0      73.3
         185.0       7.7
         186.0       1.0
    

90 MHz in CDCl3

  • 3,4,5-Trimethoxyphenol(642-71-7) IR1

    1H NMR 89.56 MHz
    C9 H12 O4 0.034 g : 0.5 ml CDCl3
    3,4,5-trimethoxyphenol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.084 B 5.6 C 3.782 D 3.768

         Hz     ppm     Int.
    

        544.94   6.085    160
        338.75   3.783    742
        337.56   3.770   1000
    

in CDCl3

  • 3,4,5-Trimethoxyphenol(642-71-7) IR1

KBr disc

  • 3,4,5-Trimethoxyphenol(642-71-7) IR1

nujol mull

  • 3,4,5-Trimethoxyphenol(642-71-7) IR1

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