Dataset

Butyl 2-ethylhexyl phthalate

This MassBank record with Accession MSBNK-Eawag-EQ01110608 contains the MS2 mass spectrum of Butyl 2-ethylhexyl phthalate with the InChIkey AVOLBYOSCILFLL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H30O4/c1-4-7-11-16(6-3)15-24-20(22)18-13-10-9-12-17(18)19(21)23-14-8-5-2/h9-10,12-13,16H,4-8,11,14-15H2,1-3H3
SMILES CCCCOC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC
InChI Key AVOLBYOSCILFLL-UHFFFAOYSA-N
Molecular Formula C20H30O4
Exact Mass 334.214 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01110608
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:06:41.417012
MetadataModified 2025-02-09T10:06:41.571260
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
40AV6S4MYV FDA SRS
DTXSID8026519 EPA CompTox Dashboard
J40.661I Nikkaji
CHEMBL3188746 ChEMBL
6818 PubChem
SCHEMBL231235 SureChEMBL
85-69-8 ACToR
191077 ChEBI
The data in this table is sourced from UniChem at EBI.