4179-19-5

3,5-二甲氧基甲苯(4179-19-5)质谱(MS)

产品名称:3,5-二甲氧基甲苯

CAS:4179-19-5

分子式:C9H12O2

分子量: 152.19

InChI:InChI=1S/C9H12O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4-6H,1-3H3

InChIKey: RIZBLVRXRWHLFA-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9524          
3,5-dimethoxytoluene
C9H12O2             (Mass of molecular ion:    152)

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

      15.0       2.3
      27.0       2.9
      28.0       1.8
      29.0       1.0
      38.0       2.5
      39.0      10.7
      40.0       2.8
      41.0       3.8
      43.0       2.2
      50.0       3.5
      51.0       7.5
      52.0       5.5
      53.0       5.5
      55.0       1.8
      59.0       1.0
      62.0       1.6
      63.0       4.1
      64.0       1.5
      65.0       7.6
      66.0       9.0
      67.0       1.6
      69.0       3.4
      74.0       1.0
      76.0       2.2
      77.0      17.4
      78.0       8.2
      79.0      15.3
      80.0       1.3
      81.0       2.6
      89.0       1.2
      90.0       1.2
      91.0      22.9
      92.0      11.5
      93.0       5.4
      94.0       6.8
     105.0       2.0
     106.0       2.4
     107.0      10.2
     108.0       8.0
     109.0      16.6
     110.0       1.3
     119.0       1.3
     121.0      12.3
     122.0      15.1
     123.0      51.7
     124.0       4.6
     137.0       4.5
     151.0       5.7
     152.0     100.0
     153.0      10.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₂ O₂	0.05 ml : 0.5 ml CDCl₃
3,5-dimethoxytoluene

    Assign.     Shift(ppm)

      A             6.321
      B             6.273
      C             3.735
      D             2.283

     Hz     ppm     Int.

   2527.95   6.326    206
   2527.34   6.324    209
   2525.63   6.320    239
   2525.02   6.319    237
   2509.16   6.279     90
   2506.96   6.273    125
   2504.88   6.268     62
   1493.04   3.736   1000
    912.72   2.284    504
    912.11   2.283    494

in CDCl3