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Back ChemicalBook Home>CAS DataBase List>877-22-5More Spectrum> 3-Methoxysalicylic acid(877-22-5) 1H NMR

877-22-5

3-Methoxysalicylic acid(877-22-5) 1H NMR

Molecular FormulaC8H8O4

Molecular Weight168.15

InChIInChI=1S/C8H8O4/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,9H,1H3,(H,10,11)

InChIKey AUZQQIPZESHNMG-UHFFFAOYSA-N

SmilesC(O)(=O)C1=CC=CC(OC)=C1O

  • 3-Methoxysalicylic acid(877-22-5) <sup>1</sup>H NMR
    Mass

    MS-IW-6998          
    3-methoxysalicylic acid
    C8H8O4              (Mass of molecular ion:    168)
    

       Source Temperature: 140 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          18.0       2.3
          26.0       1.1
          27.0       2.9
          28.0       2.2
          29.0       1.4
          37.0       1.2
          38.0       2.0
          39.0       5.3
          41.0       1.0
          45.0       2.0
          48.5       2.9
          49.0       1.1
          50.0       5.1
          51.0      16.6
          52.0       5.8
          53.0       9.6
          54.0       1.3
          55.0       6.0
          61.0       1.1
          62.0       2.7
          62.5       1.6
          63.0       6.0
          64.0       3.2
          65.0       6.2
          66.0       3.8
          68.0       1.4
          74.0       2.7
          75.0       1.1
          76.0       2.4
          77.0       2.3
          78.0       1.1
          79.0      12.3
          80.0       2.9
          81.0       1.3
          91.0       2.5
          92.0      22.1
          93.0       5.3
          94.0       4.0
         104.0       1.9
         105.0       1.6
         106.0       1.1
         107.0      34.3
         108.0       5.7
         109.0       1.3
         119.0       2.5
         120.0      31.4
         121.0      36.9
         122.0     100.0
         123.0       8.1
         124.0       1.5
         135.0       1.8
         136.0       1.3
         147.0       1.0
         149.0      13.1
         150.0      81.4
         151.0       9.9
         152.0       2.0
         168.0      70.9
         169.0       6.8
    

400 MHz at 50C

  • 3-Methoxysalicylic acid(877-22-5) <sup>1</sup>H NMR

    1H NMR 399.65 MHz
    C8 H8 O4 0.038 g : 0.5 ml CDCl3 at 50C
    3-methoxysalicylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10. B 8. C 7.528 D 7.096 E 6.860 F 3.907

         Hz     ppm     Int.
    

       3013.82   7.542    109
       3012.36   7.538    114
       3005.76   7.521    121
       3004.30   7.518    116
       2841.10   7.109     83
       2839.63   7.106     84
       2833.04   7.089     98
       2831.75   7.086     93
       2749.33   6.880    119
       2741.27   6.860    199
       2733.21   6.840     96
       1561.49   3.908   1000
    

in CDCl3

  • 3-Methoxysalicylic acid(877-22-5) <sup>1</sup>H NMR

KBr disc

  • 3-Methoxysalicylic acid(877-22-5) <sup>1</sup>H NMR

nujol mull

  • 3-Methoxysalicylic acid(877-22-5) <sup>1</sup>H NMR

  • 3-Methoxysalicylic acid(877-22-5) <sup>1</sup>H NMR

3-Methoxysalicylic acid(877-22-5) 1H NMR Atlas of Related Products

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