99-24-1

没食子酸甲酯(99-24-1)核磁图(¹HNMR)

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

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

¹H NMR	399.65 MHz
C₈ H₈ O₅	0.038 g : 0.5 ml DMSO-d₆
methyl gallate

    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

KBr disc

nujol mull

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