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Back ChemicalBook Home>CAS DataBase List>618-83-7More Spectrum> 5-Hydroxyisophthalic acid(618-83-7) 13C NMR

618-83-7

5-Hydroxyisophthalic acid(618-83-7) 13C NMR

Molecular FormulaC8H6O5

Molecular Weight182.13

InChIInChI=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

SmilesC1(C(O)=O)=CC(O)=CC(C(O)=O)=C1

  • 5-Hydroxyisophthalic acid(618-83-7) <sup>13</sup>C NMR
    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

  • 5-Hydroxyisophthalic acid(618-83-7) <sup>13</sup>C NMR

    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

  • 5-Hydroxyisophthalic acid(618-83-7) <sup>13</sup>C NMR

KBr disc

  • 5-Hydroxyisophthalic acid(618-83-7) <sup>13</sup>C NMR

nujol mull

  • 5-Hydroxyisophthalic acid(618-83-7) <sup>13</sup>C NMR

5-Hydroxyisophthalic acid(618-83-7) 13C NMR Atlas of Related Products

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