Dataset

3,5,5-TRIMETHYL-2-METHOXYCARBONYL-2-CYCLOHEXENONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004763 contains the MS mass spectrum of 3,5,5-TRIMETHYL-2-METHOXYCARBONYL-2-CYCLOHEXENONE with the InChIkey NRQHBEIJFHZERL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H16O3/c1-7-5-11(2,3)6-8(12)9(7)10(13)14-4/h5-6H2,1-4H3
SMILES COC(=O)C(=C(C)1)C(=O)CC(C)(C)C1
InChI Key NRQHBEIJFHZERL-UHFFFAOYSA-N
Molecular Formula C11H16O3
Exact Mass 196.110 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-JP004763
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • methyl 2,4,4-trimethyl-6-oxocyclohexene-1-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J47.157G Nikkaji
    12576900 PubChem
    The data in this table is sourced from UniChem at EBI.