Dataset

Mono(2-ethylhexyl) terephthalate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN113529 contains the MS2 mass spectrum of Mono(2-ethylhexyl) terephthalate with the InChIkey HRUJAEJKCNCOGW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H22O4/c1-3-5-6-12(4-2)11-20-16(19)14-9-7-13(8-10-14)15(17)18/h7-10,12H,3-6,11H2,1-2H3,(H,17,18)
SMILES CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)O
InChI Key HRUJAEJKCNCOGW-UHFFFAOYSA-N
Molecular Formula C16H22O4
Exact Mass 278.152 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-AN113529
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:40:35.702344
MetadataModified 2025-02-08T18:51:44.527982
MetadataPublished 2021-08-06
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
154683 PubChem
SCHEMBL108086 SureChEMBL
155603-50-2 ACToR
165208 ChEBI
MRK5E97B18 FDA SRS
J586.020B Nikkaji
The data in this table is sourced from UniChem at EBI.