1916-07-0

3,4,5-三甲氧基苯甲酸甲酯(1916-07-0)核磁图(¹HNMR)

产品名称:3,4,5-三甲氧基苯甲酸甲酯

CAS:1916-07-0

分子式:C11H14O5

分子量: 226.23

InChI:InChI=1S/C11H14O5/c1-13-8-5-7(11(12)16-4)6-9(14-2)10(8)15-3/h5-6H,1-4H3

InChIKey: KACHFMOHOPLTNX-UHFFFAOYSA-N

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

Mass

MS-NW-7255          
methyl 3,4,5-trimethoxybenzoate
C11H14O5            (Mass of molecular ion:    226)

   Source Temperature: 220 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       5.1
      27.0       1.9
      28.0       2.5
      29.0       1.2
      38.0       4.3
      39.0       3.1
      43.0       1.3
      45.0       1.6
      50.0       4.7
      51.0       2.4
      53.0       5.2
      59.0      10.2
      61.0       1.0
      62.0       1.6
      63.0       2.5
      65.0       2.0
      66.0       9.4
      67.0       1.3
      69.0       3.5
      75.0       1.9
      76.0       2.0
      77.0       5.3
      78.0       2.4
      79.0       3.2
      81.0       5.4
      91.0       1.0
      92.0       2.3
      93.0       2.8
      94.0       1.7
      95.0       3.2
      96.0       1.3
     106.0       1.3
     107.0       3.9
     108.0       2.8
     109.0       5.6
     112.0       1.2
     113.0       1.1
     119.0       2.0
     121.0       1.4
     122.0       3.8
     123.0       4.5
     124.0       6.0
     125.0       8.7
     134.0       1.3
     135.0       3.0
     136.0       2.5
     137.0       5.3
     138.0       1.1
     139.0       1.6
     140.0       4.0
     149.0       1.1
     150.0       1.8
     151.0       7.9
     152.0       6.2
     153.0       6.8
     155.0      20.6
     156.0       1.9
     165.0       3.8
     166.0       4.2
     167.0       2.5
     168.0       5.8
     179.0       2.3
     180.0       1.2
     181.0       1.1
     183.0      10.4
     184.0       1.0
     195.0      28.0
     196.0       5.1
     197.0       1.3
     210.0       1.4
     211.0      49.9
     212.0       6.1
     213.0       1.0
     226.0     100.0
     227.0      12.4
     228.0       1.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₁₄ O₅	0.036 g : 0.5 ml CDCl₃
methyl 3,4,5-trimethoxybenzoate

    Assign.     Shift(ppm)

      A             7.306
      B             3.913

     Hz     ppm     Int.

   2920.29   7.308    265
   1564.21   3.914   1000

in CDCl3

KBr disc

nujol mull

4880 A,200 M,powder

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