121-33-5

Vanillin(121-33-5) IR3

Product NameVanillin

CAS 121-33-5

Molecular FormulaC8H8O3

Molecular Weight152.15

InChIInChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3

InChIKey MWOOGOJBHIARFG-UHFFFAOYSA-N

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

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Vanillin(121-33-5) IR3

    Assign.     Shift(ppm)

      A             3.959
      B             6.39
      C             7.047
      D             7.42
      E             7.42
      F             9.823

Spectral Code: 1H NMR : 90 MHz in CDCl3

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