Dataset

Mono(2-ethyl-5-hydroxyhexyl)phthalate

Chemical Info

InChI	InChI=1S/C16H22O5/c1-3-12(9-8-11(2)17)10-21-16(20)14-7-5-4-6-13(14)15(18)19/h4-7,11-12,17H,3,8-10H2,1-2H3,(H,18,19)
SMILES	CCC(CCC(C)O)COC(=O)C1=CC=CC=C1C(=O)O
InChI Key	RYPQSGURZSTFSX-UHFFFAOYSA-N
Molecular Formula	C16H22O5
Exact Mass	294.147 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-AN114526
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:32:09.227553
MetadataModified	2024-01-11T09:32:09.407331
MetadataPublished	2021-08-06

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL15363960	SureChEMBL
31593096	eMolecules
16535886	PubChem: Thomson Pharma
40321-99-1	ACToR
170295	PubChem
J1.884.645D	Nikkaji
132607	ChEBI
DTXSID50873160	EPA CompTox Dashboard
HMDB0094679	Human Metabolome Database
MTBLC132607	Metabolights
The data in this table is sourced from UniChem at EBI.