Dataset

2-(3-(3-HYDROXYBUTYL)-2,2-DIMETHYLCYCLOPROPYL)CYCLOPENT-2-ENE-1-ONE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP001147 contains the MS mass spectrum of 2-(3-(3-HYDROXYBUTYL)-2,2-DIMETHYLCYCLOPROPYL)CYCLOPENT-2-ENE-1-ONE with the InChIkey IOUIEWFXKAZFEN-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H22O2/c1-9(15)7-8-11-13(14(11,2)3)10-5-4-6-12(10)16/h5,9,11,13,15H,4,6-8H2,1-3H3
SMILES CC(O)CCC(C(C)(C)1)C(C(=C2)C(=O)CC2)1
InChI Key IOUIEWFXKAZFEN-UHFFFAOYSA-N
Molecular Formula C14H22O2
Exact Mass 222.162 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-JP001147
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:43.325939
MetadataModified 2024-01-11T15:56:43.560650
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
16046277 PubChem: Thomson Pharma
10987847 PubChem
J45.311K Nikkaji
The data in this table is sourced from UniChem at EBI.