1,3,5-Trimethoxybenzene

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Systematic / IUPAC Name:

ID: Reference13684

Other Names: AA-3821

Formula: C9H12O3

Class: Endogenous Metabolites

Spectral Data

1,3,5-Trimethoxybenzene 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 Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 792
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 12/12/2025 2:25:02 PM
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Identificators

InChI InChI=1S/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3
InChI Key LKUDPHPHKOZXCD-UHFFFAOYSA-N
Canonical SMILES COc1cc(OC)cc(OC)c1
CAS
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Other Names AA-3821

In Other Databases

ChemSpider 21111723
ChEBI CHEBI:31038
KEGG D01792
ChEMBL CHEMBL1605492
HMDb HMDB0059963
PubChem 69301