Dataset

1-(4-ACETOXY-3-METHOXYPHENYL)DEC-4-EN-3-ONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007242 contains the MS mass spectrum of 1-(4-ACETOXY-3-METHOXYPHENYL)DEC-4-EN-3-ONE with the InChIkey UMPBPDLXVPCHRQ-CMDGGOBGSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H26O4/c1-4-5-6-7-8-9-17(21)12-10-16-11-13-18(23-15(2)20)19(14-16)22-3/h8-9,11,13-14H,4-7,10,12H2,1-3H3/b9-8+
SMILES CCCCCC=CC(=O)CCc(c1)cc(OC)c(OC(C)=O)c1
InChI Key UMPBPDLXVPCHRQ-CMDGGOBGSA-N
Molecular Formula C19H26O4
Exact Mass 318.183 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-JP007242
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • [2-methoxy-4-[(E)-3-oxodec-4-enyl]phenyl] acetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J3.603.387H Nikkaji
    50210053 BindingDB
    CHEMBL3884753 ChEMBL
    101621289 PubChem
    J46.684K Nikkaji
    The data in this table is sourced from UniChem at EBI.