Dimethyl adipate
13942
Reference
Dimethyl adipate Structure
Systematic / IUPAC Name: Dimethyl hexanedioate
ID: Reference13942
Other Names: AA-4530
Formula: C8H14O4
Class: Endogenous Metabolites
Spectral Data
Dimethyl adipate 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 | 878 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/8/2026 10:33:50 AM |
Identificators
| InChI | InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3 |
| InChI Key | UDSFAEKRVUSQDD-UHFFFAOYSA-N |
| Canonical SMILES | COC(=O)CCCCC(=O)OC |
| CAS | |
| Splash | |
| Other Names | AA-4530 |
In Other Databases
| ChEBI | CHEBI:34715 |
| HMDb | HMDB0041606 |
| PubChem | 12329; 12329 |
| ChEMBL | CHEMBL1566491 |
| Wikipedia | Dimethyl adipate |
| ChemSpider | More details; 11824 |
| KEGG | C14570 |