Dataset

3-HEXYL PROPIONATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006399 contains the MS mass spectrum of 3-HEXYL PROPIONATE with the InChIkey GYZCKXAOGZSSCT-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H18O2/c1-4-7-8(5-2)11-9(10)6-3/h8H,4-7H2,1-3H3
SMILES CCCC(CC)OC(=O)CC
InChI Key GYZCKXAOGZSSCT-UHFFFAOYSA-N
Molecular Formula C9H18O2
Exact Mass 158.131 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-JP006399
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:00.665658
MetadataModified 2024-01-11T15:56:00.848231
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
54374068 PubChem
J184.194G Nikkaji
SCHEMBL3793162 SureChEMBL
The data in this table is sourced from UniChem at EBI.