Mono(2-ethyl-5-hydroxyhexyl) adipate

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Dataset

Mono(2-ethyl-5-hydroxyhexyl) adipate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN113430 contains the MS2 mass spectrum of Mono(2-ethyl-5-hydroxyhexyl) adipate with the InChIkey GUWFIYHOYMKEJE-UHFFFAOYSA-N.

Chemical Info

molecular Image

InChI	InChI=1S/C14H26O5/c1-3-12(9-8-11(2)15)10-19-14(18)7-5-4-6-13(16)17/h11-12,15H,3-10H2,1-2H3,(H,16,17)
SMILES	CCC(CCC(C)O)COC(=O)CCCCC(=O)O
InChI Key	GUWFIYHOYMKEJE-UHFFFAOYSA-N
Molecular Formula	C14H26O5
Exact Mass	274.178 g/mol

Data and Resources

Mono(2-ethyl-5-hydroxyhexyl) adipateHTML
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Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN113430
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:31:04.711997
MetadataModified	2024-01-11T09:31:04.899923
MetadataPublished	2021-08-05

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
154455	PubChem
SCHEMBL536451	SureChEMBL
134998-71-3	ACToR
9WE40ISV2U	FDA SRS
The data in this table is sourced from UniChem at EBI.