2-Acetyl-5-methylfuran
13884
Reference
2-Acetyl-5-methylfuran Structure
Systematic / IUPAC Name: 1-(5-Methylfuran-2-yl)ethanone
ID: Reference13884
Other Names: AA-4694
Formula: C7H8O2
Class: Endogenous Metabolites
Spectral Data
2-Acetyl-5-methylfuran 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 | 808 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/23/2026 6:50:21 PM |
Identificators
| InChI | InChI=1S/C7H8O2/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3 |
| InChI Key | KEFJLCGVTHRGAH-UHFFFAOYSA-N |
| Canonical SMILES | CC(=O)c1ccc(C)o1 |
| CAS | |
| Splash | |
| Other Names | AA-4694 |
In Other Databases
| HMDb | HMDB0035226; HMDB35226 |
| ChEMBL | CHEMBL455506 |
| PubChem | 14514; 14514 |
| ChemSpider | 13858 |
| ChEBI | CHEBI:562752 |