Dataset

1-ETHYLCYCLOHEXYL 3-OXOBUTANOATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007594 contains the MS mass spectrum of 1-ETHYLCYCLOHEXYL 3-OXOBUTANOATE with the InChIkey AOJQJEGJPJOEOG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H20O3/c1-3-12(7-5-4-6-8-12)15-11(14)9-10(2)13/h3-9H2,1-2H3
SMILES CC(=O)CC(=O)OC(CC)(C1)CCCC1
InChI Key AOJQJEGJPJOEOG-UHFFFAOYSA-N
Molecular Formula C12H20O3
Exact Mass 212.141 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-JP007594
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (1-ethylcyclohexyl) 3-oxobutanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    567171 PubChem
    J47.244A Nikkaji
    DTXSID30340764 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.