1,2,4-三甲氧基苯(135-77-3)核磁圖(¹³CNMR)

產(chǎn)品名稱:1,2,4-三甲氧基苯

CAS:135-77-3

分子式:C9H12O3

分子量: 168.19

InChI:InChI=1S/C9H12O3/c1-10-7-4-5-8(11-2)9(6-7)12-3/h4-6H,1-3H3

InChIKey: AGIQIOSHSMJYJP-UHFFFAOYSA-N

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

Mass

MS-NW-6059          
1,2,4-trimethoxybenzene
C9H12O3             (Mass of molecular ion:    168)

   Source Temperature: 250 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       6.1
      26.0       1.6
      27.0       1.6
      28.0       2.9
      29.0       1.7
      38.0       2.3
      39.0       7.6
      41.0       3.9
      43.0       1.4
      50.0       4.4
      51.0      10.3
      52.0      12.1
      53.0       5.9
      54.0       2.2
      55.0       2.5
      59.0       2.6
      62.0       2.3
      63.0       3.9
      64.0       3.0
      65.0       7.7
      66.0       2.1
      67.0       2.3
      69.0      14.6
      77.0       6.5
      78.0       1.0
      79.0      10.2
      80.0       5.0
      81.0       1.3
      82.0       4.6
      92.0       3.5
      93.0       7.4
      94.0       2.7
      95.0       8.5
      97.0       1.4
     107.0       6.7
     108.0       4.9
     109.0       3.5
     110.0      16.3
     111.0       1.6
     121.0       1.0
     122.0       2.4
     123.0       3.2
     124.0       1.1
     125.0      49.0
     126.0       4.2
     137.0       1.9
     152.0       2.2
     153.0      87.0
     154.0       8.5
     155.0       1.2
     165.0       1.4
     166.0       2.5
     167.0       1.1
     168.0     100.0
     169.0      10.6
     170.0       1.2

parameter in CDCl3

¹H NMR	300 MHz
C₉ H₁₂ O₃	0.05 ml : 0.5 ml CDCl₃
1,2,4-trimethoxybenzene

    Parameter     ppm  Hz

      D(A)         6.760
      D(B)         6.502
      D(C)         6.383
       J(A,B)          0.0
       J(A,C)          8.6
       J(B,C)          2.8
     
      D(D) *1      3.831
      D(E) *1      3.808
      D(F) *1      3.743

     Hz     ppm     Int.

   2032.47   6.775    154
   2023.88   6.746    179
   1952.06   6.507    156
   1949.27   6.498    182
   1920.38   6.401     99
   1917.62   6.392     84
   1911.79   6.373     84
   1909.03   6.363     73
   1149.30   3.831   1000
   1142.42   3.808   1000
   1122.94   3.743    997

in CDCl3