Dataset

2-Ethylhexyl 4-(dimethylamino)benzoate

This MassBank record with Accession MSBNK-Eawag-EQ01107504 contains the MS2 mass spectrum of 2-Ethylhexyl 4-(dimethylamino)benzoate with the InChIkey WYWZRNAHINYAEF-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C17H27NO2/c1-5-7-8-14(6-2)13-20-17(19)15-9-11-16(12-10-15)18(3)4/h9-12,14H,5-8,13H2,1-4H3
SMILES	CCCCC(CC)COC(=O)C1=CC=C(C=C1)N(C)C
InChI Key	WYWZRNAHINYAEF-UHFFFAOYSA-N
Molecular Formula	C17H27NO2
Exact Mass	277.204 g/mol

Data and Resources

2-Ethylhexyl 4-(dimethylamino)benzoateHTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01107504
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T10:32:56.278020
MetadataModified	2025-02-09T10:32:56.475365
MetadataPublished	2024-06-14
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
MCULE-7746500520	Mcule
DB11570	DrugBank
padimate o	DailyMed
CB3128547	ChemicalBook
507953	eMolecules
PD013464	ProbesDrugs
SCHEMBL15432	SureChEMBL
127361-11-9	ACToR
21245-02-3	ACToR
14824358	PubChem: Thomson Pharma
30541	PubChem
CHEMBL1323699	ChEMBL
Z11006CMUZ	FDA SRS
ESCALOL 507	clinicaltrials
PADIMATE O	clinicaltrials
PADIMATE-O	rxnorm
HMDB0245607	Human Metabolome Database
J13.349C	Nikkaji
PADIMATE O	DailyMed
135932	ChEBI
4270	DrugCentral
DTXSID7029320	EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.