Dataset

2,4-Di-(2-ethylhexyl) trimellitate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN115630 contains the MS2 mass spectrum of 2,4-Di-(2-ethylhexyl) trimellitate with the InChIkey WXSCEQXIHBEPIQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C25H38O6/c1-5-9-11-18(7-3)16-30-24(28)20-13-14-21(23(26)27)22(15-20)25(29)31-17-19(8-4)12-10-6-2/h13-15,18-19H,5-12,16-17H2,1-4H3,(H,26,27)
SMILES CCCCC(CC)COC(=O)c1ccc(C(=O)O)c(C(=O)OCC(CC)CCCC)c1
InChI Key WXSCEQXIHBEPIQ-UHFFFAOYSA-N
Molecular Formula C25H38O6
Exact Mass 434.267 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN115630
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:39:57.720338
MetadataModified 2025-02-08T18:50:54.172939
MetadataPublished 2021-08-06
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
14048412 PubChem
The data in this table is sourced from UniChem at EBI.