Dataset

2-Ethylhexyl diphenyl phosphate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN118518 contains the MS2 mass spectrum of 2-Ethylhexyl diphenyl phosphate with the InChIkey CGSLYBDCEGBZCG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3
SMILES CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
InChI Key CGSLYBDCEGBZCG-UHFFFAOYSA-N
Molecular Formula C20H27O4P
Exact Mass 362.165 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-AN118518
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:31:07.167763
MetadataModified 2025-02-08T18:51:25.540045
MetadataPublished 2021-09-04
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
20208545 NMRShiftDB
SCHEMBL93483 SureChEMBL
3716444 eMolecules
188855 ChEBI
14852580 PubChem: Thomson Pharma
1241-94-7 ACToR
CHEMBL2105213 ChEMBL
225946 Brenda
CB4219426 ChemicalBook
J7.469A Nikkaji
DTXSID1025300 EPA CompTox Dashboard
HMDB0245120 Human Metabolome Database
4F53Z6NE1Y FDA SRS
14716 PubChem
The data in this table is sourced from UniChem at EBI.