Dataset

Mono(2-ethyl-5-oxohexyl)phthalate

Chemical Info

InChI	InChI=1S/C16H20O5/c1-3-12(9-8-11(2)17)10-21-16(20)14-7-5-4-6-13(14)15(18)19/h4-7,12H,3,8-10H2,1-2H3,(H,18,19)
SMILES	CCC(CCC(=O)C)COC(=O)C1=CC=CC=C1C(=O)O
InChI Key	HCWNFKHKKHNSSL-UHFFFAOYSA-N
Molecular Formula	C16H20O5
Exact Mass	292.131 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN114627
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:30:18.231389
MetadataModified	2024-01-11T09:30:18.421704
MetadataPublished	2021-08-06

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
7J8J8977X9	FDA SRS
J534.953B	Nikkaji
SCHEMBL15364324	SureChEMBL
31593098	eMolecules
16523540	PubChem: Thomson Pharma
40321-98-0	ACToR
DTXSID00865994	EPA CompTox Dashboard
MTBLC132606	Metabolights
119096	PubChem
132606	ChEBI
HMDB0094645	Human Metabolome Database
The data in this table is sourced from UniChem at EBI.