Dipropyl adipate

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Systematic / IUPAC Name: Dipropyl hexanedioate

ID: Reference13928

Other Names: AA-4546

Formula: C12H22O4

Class: Endogenous Metabolites

Spectral Data

Dipropyl adipate 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 1050
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/29/2026 8:49:31 AM
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Identificators

InChI InChI=1S/C12H22O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-10H2,1-2H3
InChI Key NKOUWLLFHNBUDW-UHFFFAOYSA-N
Canonical SMILES CCCOC(=O)CCCCC(=O)OCCC
CAS
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Other Names AA-4546

In Other Databases

ChEMBL CHEMBL3187954
PubChem 7790
ChemSpider 7502
HMDb HMDB41614