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返回ChemicalBook首页>CAS数据库列表>1719-88-6更多图谱> 3,4,5-三甲氧基苯甲酸酐(1719-88-6)核磁图(1HNMR)

1719-88-6

3,4,5-三甲氧基苯甲酸酐(1719-88-6)核磁图(1HNMR)

分子式:C20H22O9

分子量: 406.38

InChI:InChI=1S/C20H22O9/c1-23-13-7-11(8-14(24-2)17(13)27-5)19(21)29-20(22)12-9-15(25-3)18(28-6)16(10-12)26-4/h7-10H,1-6H3

InChIKey: LQJFTZJNDJDCKV-UHFFFAOYSA-N

Smiles:C1(C(=O)OC(=O)C2=CC(=C(OC)C(OC)=C2)OC)C=C(C(OC)=C(OC)C=1)OC

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    Mass

    MS-NW-6995          
    3,4,5-trimethoxybenzoic anhydride
    C20H22O9            (Mass of molecular ion:    406)
    

       Source Temperature: 220 °C
       Sample Temperature: 170 °C
       Direct, 75 eV
    

          53.0       1.8
          66.0       3.0
          77.0       3.4
          79.0       1.0
          81.0       3.7
          92.0       1.3
          96.0       1.1
         107.0       1.2
         109.0       2.6
         122.0       2.5
         124.0       1.5
         137.0       3.2
         139.0       1.4
         152.0       4.4
         167.0       2.3
         195.0     100.0
         196.0      11.1
         197.0       2.2
         212.0       1.6
         362.0       2.6
         406.0      27.2
         407.0       6.0
         408.0       1.1
    

parameter in CDCl3

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    1H NMR 300 MHz
    C20 H22 O9 0.035 g : 0.5 ml CDCl3
    3,4,5-trimethoxybenzoic anhydride
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.387 D(B) 3.963 D(C) 3.931

         Hz     ppm     Int.
    

       2216.11   7.387    333
       1188.91   3.963    501
       1179.32   3.931   1000
    

in CDCl3

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KBr disc

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nujol mull

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