Vanillin

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Systematic / IUPAC Name: 4-Hydroxy-3-methoxybenzaldehyde

ID: Reference2529

Other Names: Vanillaldehyde;
Vanillic aldehyde;
Lioxin;
Vanilla;
p-Vanillin ; more

Formula: C8H8O3

Class: Endogenous Metabolites Excipients/Additives/Colorants Personal Care Products/Cosmetics Industrial Chemicals

Spectral Data

Vanillin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 355
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/16/2016 12:07:36 PM
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Identificators

InChI InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
InChI Key MWOOGOJBHIARFG-UHFFFAOYSA-N
Canonical SMILES COC1=C(C=CC(=C1)C=O)O
CAS 121335
Splash
Other Names Vanillaldehyde;
Vanillic aldehyde;
Lioxin;
Vanilla;
p-Vanillin;
Benzaldehyde, 4-hydroxy-3-methoxy-;
2-Methoxy-4-formylphenol;
3-Methoxy-4-hydroxybenzaldehyde;
4-Hydroxy-m-anisaldehyde;
Zimco;
4-Formyl-2-methoxyphenol;
p-Hydroxy-m-methoxybenzaldehyde;
4-Hydroxy-5-methoxybenzaldehyde;
Vanilin;
Methylprotocatechuic aldehyde;
m-Anisaldehyde, 4-hydroxy-;
Protocatechualdehyde 3-methyl ether;
Protocatechualdehyde, methyl-;
Vaniline;
Vanillinum;
Oleoresin vanilla;
Vanilla oleoresin;
m-Methoxy-p-hydroxybenzaldehyde;
Methyl-protocatechualdehyde;
Methylprotcatechuic aldehyde

In Other Databases

ChEBI CHEBI:18346
Wikipedia Vanillin
ChEMBL CHEMBL13883
KEGG D00091; C00755
ChemSpider 13860434
PubChem 1183
HMDb HMDB12308