121-34-6

Vanillic acid (121-34-6) ¹H NMR

Product NameVanillic acid

CAS 121-34-6

Molecular FormulaC8H8O4

Molecular Weight168.15

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

InChIKey WKOLLVMJNQIZCI-UHFFFAOYSA-N

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

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Vanillic acid (121-34-6) <sup>1</sup>H NMR
Mass

MS-NW-2148          
vanillic acid
C8H8O4              (Mass of molecular ion:    168)

   Source Temperature: 180 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      15.0       4.1
      17.0       1.0
      18.0       5.5
      26.0       1.8
      27.0       3.9
      28.0       6.0
      29.0       3.2
      31.0       1.6
      37.0       1.6
      38.0       2.6
      39.0       5.9
      40.0       1.1
      41.0       6.5
      43.0       1.8
      44.0       2.0
      45.0       2.3
      49.0       1.0
      50.0       5.5
      51.0      11.1
      52.0      10.9
      53.0       5.2
      54.0       1.0
      55.0       3.7
      61.0       1.1
      62.0       2.4
      63.0       4.6
      64.0       1.6
      65.0       4.3
      66.0       1.1
      67.0       2.0
      68.0       1.4
      69.0       2.8
      71.0       2.2
      77.0       2.9
      79.0       6.1
      80.0       3.1
      81.0       3.6
      91.0       1.0
      92.0       1.2
      93.0       1.4
      95.0       1.4
      96.0       1.0
      97.0      27.6
      98.0       1.6
     107.0       2.6
     108.0       4.2
     109.0       1.9
     121.0       1.4
     123.0       5.5
     124.0       1.7
     125.0      22.8
     126.0       1.5
     151.0      14.3
     152.0       1.6
     153.0      56.0
     154.0       5.5
     168.0     100.0
     169.0       8.9
     170.0       1.3