Dataset

HEXANAL DI-TRANS-2-HEXENYL ACETAL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009094 contains the MS mass spectrum of HEXANAL DI-TRANS-2-HEXENYL ACETAL with the InChIkey CKGRYWOADIIZMT-IFQMDVHZSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H34O2/c1-4-7-10-13-16-19-18(15-12-9-6-3)20-17-14-11-8-5-2/h10-11,13-14,18H,4-9,12,15-17H2,1-3H3/b13-10+,14-11+
SMILES CCCC=CCOC(CCCCC)OCC=CCCC
InChI Key CKGRYWOADIIZMT-IFQMDVHZSA-N
Molecular Formula C18H34O2
Exact Mass 282.256 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-JP009094
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 1,1-bis[(E)-hex-2-enoxy]hexane
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    101588411 PubChem
    J354.633K Nikkaji
    The data in this table is sourced from UniChem at EBI.