Dataset

3-PHENYLPROPYL HEXANOATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007000 contains the MS mass spectrum of 3-PHENYLPROPYL HEXANOATE with the InChIkey RSOGLEKUVSFLMO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H22O2/c1-2-3-5-12-15(16)17-13-8-11-14-9-6-4-7-10-14/h4,6-7,9-10H,2-3,5,8,11-13H2,1H3
SMILES CCCCCC(=O)OCCCc(c1)cccc1
InChI Key RSOGLEKUVSFLMO-UHFFFAOYSA-N
Molecular Formula C15H22O2
Exact Mass 234.162 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP007000
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:14.554531
MetadataModified 2024-01-11T15:56:14.712481
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J155.165E Nikkaji
221417 PubChem
DTXSID70211909 EPA CompTox Dashboard
ZINC000001687357 ZINC
HMDB0036390 Human Metabolome Database
SCHEMBL3253012 SureChEMBL
196143 ChEBI
6281-40-9 ACToR
Y50D757537 FDA SRS
The data in this table is sourced from UniChem at EBI.