Dataset

Octyl-3,5-di-tert-butyl-4-hydroxyhydrocinnamate; LC-ESI-QTOF; MS2; CE: Ramp 23.4-35.1 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU252706 contains the MS2 mass spectrum of Octyl-3,5-di-tert-butyl-4-hydroxyhydrocinnamate with the InChIkey CFXCGWWYIDZIMU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C25H42O3/c1-8-9-10-11-12-13-16-28-22(26)15-14-19-17-20(24(2,3)4)23(27)21(18-19)25(5,6)7/h17-18,27H,8-16H2,1-7H3
SMILES CCCCCCCCOC(=O)CCC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C
InChI Key CFXCGWWYIDZIMU-UHFFFAOYSA-N
Molecular Formula C25H42O3
Exact Mass 390.313 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU252706
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MetadataPublished 2019-04-08
Related Molecule
  • octyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:181742 chebi
    283575 surechembl
    9908458 pubchem
    DTXSID60273995 comptox
    Molport-008-266-514 molport
    The data in this table is sourced from UniChem at EBI.