Dataset

Mono(2-ethyl-5-hydroxyhexyl) terephthalate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN113625 contains the MS2 mass spectrum of Mono(2-ethyl-5-hydroxyhexyl) terephthalate with the InChIkey ODRKAFOVPBFSIN-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H22O5/c1-3-12(5-4-11(2)17)10-21-16(20)14-8-6-13(7-9-14)15(18)19/h6-9,11-12,17H,3-5,10H2,1-2H3,(H,18,19)
SMILES CCC(CCC(C)O)COC(=O)c1ccc(C(=O)O)cc1
InChI Key ODRKAFOVPBFSIN-UHFFFAOYSA-N
Molecular Formula C16H22O5
Exact Mass 294.147 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN113625
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:30:09.624588
MetadataModified 2024-01-11T09:30:09.809869
MetadataPublished 2021-08-06
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
155898867 PubChem
The data in this table is sourced from UniChem at EBI.