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618-83-7

5-羥基間苯二甲酸(618-83-7)紅外圖譜(IR1)

產(chǎn)品名稱:5-羥基間苯二甲酸

CAS:618-83-7

分子式:C8H6O5

分子量: 182.13

InChI:InChI=1S/C8H6O5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)

InChIKey: QNVNLUSHGRBCLO-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-IW-3907          
5-hydroxyisophthalic acid
C8H6O5              (Mass of molecular ion:    182)


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


          18.0       3.5
      27.0       1.0
      38.0       1.6
      39.0       3.6
      45.0       1.9
      51.0       1.2
      53.0       4.7
      55.0       1.1
      61.0       1.5
      62.0       3.6
      63.0       6.8
      64.0       1.9
      65.0       1.9
      69.0       2.9
      74.0       1.7
      81.0      11.6
      82.0       1.2
      91.0       1.5
      92.0       2.4
      93.0       2.0
     108.0       1.1
     109.0       3.4
     119.0       1.2
     121.0       1.7
     136.0       1.5
     137.0      23.8
     138.0       2.3
     164.0       1.1
     165.0      68.8
     166.0       6.5
     182.0     100.0
     183.0       8.8
     184.0       1.4

parameter in DMSO-d6

  • 圖譜

    1H NMR 300 MHz
    C8 H6 O5 0.031 g : 0.5 ml DMSO-d6
    5-hydroxyisophthalic acid
    ChemicalStructure 
        Parameter     ppm  Hz
    
      D(A)        13.2
     
      D(B)        10.2
     
      D(C)         7.976
     
      D(D)         7.562
  

         Hz     ppm     Int.


       3960.01  13.200     23
   3060.07  10.200     11
   2392.78   7.976    500
   2268.59   7.562   1000

in DMSO-d6

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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