Dataset

UNDECYL BENZOATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP001839 contains the MS mass spectrum of UNDECYL BENZOATE with the InChIkey YEHGKFOTJWYCBN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-13-16-20-18(19)17-14-11-10-12-15-17/h10-12,14-15H,2-9,13,16H2,1H3
SMILES CCCCCCCCCCCOC(=O)c(c1)cccc1
InChI Key YEHGKFOTJWYCBN-UHFFFAOYSA-N
Molecular Formula C18H28O2
Exact Mass 276.209 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-JP001839
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • undecyl benzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J47.220D Nikkaji
    ZINC000001595748 ZINC
    DTXSID60281712 EPA CompTox Dashboard
    6316-30-9 ACToR
    229159 PubChem
    SCHEMBL10532726 SureChEMBL
    The data in this table is sourced from UniChem at EBI.