Dataset

2-(3-(3-HYDROXYBUTYL)-2,2-DIMETHYLCYCLOPROPYL)CYCLOPENT-2-ENE-1-ONE; EI-B; MS

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 Information

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
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MetadataPublished 2016-01-19
Related Molecule
  • 2-[3-(3-hydroxybutyl)-2,2-dimethylcyclopropyl]cyclopent-2-en-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    10987847 pubchem
    The data in this table is sourced from UniChem at EBI.