Isovanillin

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

ID: Reference13702

Other Names: Isovanilline;
AA-3987

Formula: C8H8O3

Class: Endogenous Metabolites

Spectral Data

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

View Mass Spectra

Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 2
No. of Spectra 848
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/18/2025 12:28:07 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3
InChI Key JVTZFYYHCGSXJV-UHFFFAOYSA-N
Canonical SMILES COc1ccc(C=O)cc1O
CAS
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Other Names Isovanilline;
AA-3987

In Other Databases

ChEMBL CHEMBL275563
ChEBI CHEBI:193161
PubChem 12127
ChemSpider 11629
Wikipedia Isovanillin