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6443-69-2

3,4,5-三甲氧基甲苯(6443-69-2)红外图谱(IR1)

分子式:C10H14O3

分子量: 182.22

InChI:InChI=1S/C10H14O3/c1-7-5-8(11-2)10(13-4)9(6-7)12-3/h5-6H,1-4H3

InChIKey: KCIZTNZGSBSSRM-UHFFFAOYSA-N

Smiles:C1(OC)=CC(C)=CC(OC)=C1OC

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    Mass

    MS-NW-9767          
    3,4,5-trimethoxytoluene
    C10H14O3            (Mass of molecular ion:    182)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       1.2
          39.0       3.5
          51.0       1.7
          52.0       1.7
          53.0       7.1
          63.0       1.0
          65.0       4.3
          66.0       1.4
          77.0       3.4
          78.0       1.4
          79.0       6.8
          80.0       1.1
          81.0       2.0
          91.0       4.0
          94.0       1.2
          95.0       1.6
          96.0       2.1
         106.0       1.0
         107.0      18.1
         108.0       2.4
         109.0      10.8
         111.0       1.2
         121.0       2.9
         122.0       3.9
         124.0      14.5
         125.0       1.2
         136.0       1.4
         137.0       1.1
         139.0      25.3
         140.0       2.2
         152.0       2.1
         166.0       2.2
         167.0      79.9
         168.0       8.2
         181.0       1.5
         182.0     100.0
         183.0      11.1
         184.0       1.1
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C10 H14 O3 0.05 ml : 0.5 ml CDCl3
    3,4,5-trimethoxytoluene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.384 B 3.821 C 3.813 D 2.300

         Hz     ppm     Int.
    

       2551.88   6.386    400
       1536.13   3.844     27
       1534.79   3.841     37
       1527.10   3.822   1000
       1523.80   3.813    783
       1514.65   3.790     32
       1511.84   3.783     20
        919.56   2.301    541
        918.95   2.300    570
    

in CDCl3

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liquid film

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