Diisopropyl adipate

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Systematic / IUPAC Name: Dipropan-2-yl hexanedioate

ID: Reference13916

Other Names: AA-4542

Formula: C12H22O4

Class: Endogenous Metabolites

Spectral Data

Diisopropyl adipate 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 1
No. of Spectra 1600
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/22/2026 10:21:03 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C12H22O4/c1-9(2)15-11(13)7-5-6-8-12(14)16-10(3)4/h9-10H,5-8H2,1-4H3
InChI Key ZDQWESQEGGJUCH-UHFFFAOYSA-N
Canonical SMILES CC(C)OC(=O)CCCCC(=O)OC(C)C
CAS
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Other Names AA-4542

In Other Databases

PubChem 23368; 23368
KEGG C14523
HMDb HMDB41613
ChemSpider 21853
ChEBI CHEBI:34711
ChEMBL CHEMBL3184058