2150-38-1

3,4-二甲氧基苯甲酸甲酯(2150-38-1)红外图谱(IR2)

产品名称:3,4-二甲氧基苯甲酸甲酯

CAS:2150-38-1

分子式:C10H12O4

分子量: 196.2

InChI:InChI=1S/C10H12O4/c1-12-8-5-4-7(10(11)14-3)6-9(8)13-2/h4-6H,1-3H3

InChIKey: BIGQPYZPEWAPBG-UHFFFAOYSA-N

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

¹HNMR

IR1

IR2

Mass

MS-IW-7824          
methyl veratrate
C10H12O4            (Mass of molecular ion:    196)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       2.7
      28.0       1.4
      39.0       1.5
      50.0       2.8
      51.0       7.2
      52.0       1.4
      53.0       2.2
      59.0       6.1
      62.0       1.6
      63.0       3.0
      64.0       1.4
      65.0       2.2
      66.0       1.6
      69.0       1.2
      75.0       1.5
      76.0       2.5
      77.0       8.8
      78.0       1.3
      79.0      10.7
      80.0       1.4
      81.0       1.5
      82.5       1.1
      91.0       2.8
      92.0       3.8
      93.0       3.5
      94.0       5.8
      95.0       2.2
     105.0       1.1
     107.0       4.6
     108.0       1.0
     109.0       2.2
     110.0       1.3
     119.0       4.3
     120.0       2.2
     121.0       6.8
     122.0       6.5
     123.0       2.4
     125.0       6.9
     135.0       2.2
     136.0       2.5
     137.0      11.1
     138.0       1.8
     149.0       4.3
     151.0       1.5
     153.0       3.2
     165.0      89.9
     166.0       9.1
     167.0       1.1
     181.0      11.8
     182.0       1.2
     196.0     100.0
     197.0      11.0
     198.0       1.3

parameter in acetone-d6

¹H NMR	300 MHz
C₁₀ H₁₂ O₄	1.0 M in acetone-d₆
methyl veratrate

    Parameter     ppm  Hz

      D(A)         7.509
      D(B)         7.000
      D(C)         7.610
       J(A,B)          0.30
       J(A,C)          1.98
       J(B,C)          8.36
     
      D(D)         3.857
     
      D(E)         3.876
     
      D(F)         3.843
     
     SCOTT,K.N. J.MAGN.RESON. 2, 361 (1970)

     Hz     ppm     Int.

   2288.29   7.628     77
   2286.36   7.621     86
   2279.93   7.600     84
   2277.99   7.593     96
   2253.66   7.512    155
   2251.70   7.506    137
   2104.11   7.014    147
   2095.74   6.986    134
   1162.80   3.876    994
   1157.11   3.857   1000
   1152.92   3.843    997

KBr disc