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99-24-1

没食子酸甲酯(99-24-1)Raman光谱

产品名称:没食子酸甲酯

CAS:99-24-1

分子式:C8H8O5

分子量: 184.15

InChI:InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3

InChIKey: FBSFWRHWHYMIOG-UHFFFAOYSA-N

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

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    Mass

    MS-NW-8195          
    methyl gallate
    C8H8O5              (Mass of molecular ion:    184)
    

       Source Temperature: 230 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          15.0       1.4
          27.0       1.1
          28.0       4.9
          29.0       1.7
          38.0       1.7
          39.0       4.6
          40.0       1.6
          41.0       1.5
          43.0       1.0
          50.0       2.5
          51.0       5.1
          53.0       3.3
          55.0       1.2
          66.0       1.2
          67.0       1.6
          68.0       1.8
          69.0       1.8
          77.0       1.1
          78.0       2.6
          79.0       8.5
          97.0       1.3
         107.0       4.6
         114.0       1.2
         124.0       3.0
         125.0      20.6
         126.0       3.6
         127.0       2.4
         135.0       1.1
         139.0       1.0
         152.0       1.6
         153.0     100.0
         154.0       8.3
         155.0       2.3
         170.0       1.5
         183.0       2.6
         184.0      62.0
         185.0       5.7
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C8 H8 O5 0.038 g : 0.5 ml DMSO-d6
    methyl gallate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.973 B 3.765

         Hz     ppm     Int.
    

       2787.02   6.974    828
       1504.82   3.766   1000
    

in DMSO-d6

in D2O

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KBr disc

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nujol mull

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