6443-69-2

3,4,5-三甲氧基甲苯(6443-69-2)红外图谱(IR1)

产品名称:3,4,5-三甲氧基甲苯

CAS:6443-69-2

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

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

¹H NMR	399.65 MHz
C₁₀ H₁₄ O₃	0.05 ml : 0.5 ml CDCl₃
3,4,5-trimethoxytoluene

    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