Dataset

Dicyclohexylphthalate

This MassBank record with Accession MSBNK-Athens_Univ-AU250604 contains the MS2 mass spectrum of Dicyclohexylphthalate with the InChIkey VOWAEIGWURALJQ-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2
SMILES	O=C(OC1CCCCC1)C1=CC=CC=C1C(=O)OC1CCCCC1
InChI Key	VOWAEIGWURALJQ-UHFFFAOYSA-N
Molecular Formula	C20H26O4
Exact Mass	330.183 g/mol

Data and Resources

DicyclohexylphthalateHTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU250604
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:56:34.909693
MetadataModified	2025-02-08T19:08:32.884999
MetadataPublished	2019-04-08

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
HITDIA	CCDC
HMDB0251213	Human Metabolome Database
CHEMBL3185893	ChEMBL
J47.120H	Nikkaji
34693	ChEBI
ZINC000001693279	ZINC
DTXSID5025021	EPA CompTox Dashboard
217253	Brenda
C14529	KEGG Ligand
221946	Brenda
CB5769559	ChemicalBook
4705	Brenda
MCULE-6607324429	Mcule
20200746	NMRShiftDB
6777	PubChem
SCHEMBL29302	SureChEMBL
14826664	PubChem: Thomson Pharma
84-61-7	ACToR
169741-16-6	ACToR
CGD15M7H2N	FDA SRS
496568	eMolecules
The data in this table is sourced from UniChem at EBI.