o-Vanillin
13802
Reference
o-Vanillin Structure
Systematic / IUPAC Name: 2-Hydroxy-3-methoxybenzaldehyde
ID: Reference13802
Other Names: AA-4291
Formula: C8H8O3
Class: Endogenous Metabolites
Spectral Data
o-Vanillin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap ID-X with ETD_Cal Gateshead |
| No. of Spectral Trees | 1 |
| No. of Spectra | 244 |
| Tandem Spectra | MS1, MS2, MS3 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/27/2026 5:30:43 PM |
Identificators
| InChI | InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-9)8(7)10/h2-5,10H,1H3 |
| InChI Key | JJVNINGBHGBWJH-UHFFFAOYSA-N |
| Canonical SMILES | COc1cccc(C=O)c1O |
| CAS | |
| Splash | |
| Other Names | AA-4291 |
In Other Databases
| PubChem | 8991 |
| Wikipedia | Ortho-Vanillin |
| ChEBI | CHEBI:78339 |
| ChemSpider | 819; More details; 21105848 |
| ChEMBL | CHEMBL13859 |