Dataset

4-N-AMYLBENZOIC ACID METHYL ESTER; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002205 contains the MS mass spectrum of 4-N-AMYLBENZOIC ACID METHYL ESTER with the InChIkey STDGBCHZHMQCAE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H18O2/c1-3-4-5-6-11-7-9-12(10-8-11)13(14)15-2/h7-10H,3-6H2,1-2H3
SMILES CCCCCc(c1)ccc(c1)C(=O)OC
InChI Key STDGBCHZHMQCAE-UHFFFAOYSA-N
Molecular Formula C13H18O2
Exact Mass 206.131 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-JP002205
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MetadataPublished 2016-01-19
Related Molecule
  • methyl 4-pentylbenzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    8044139 surechembl
    117775 pubchem
    DTXSID4067199 comptox
    The data in this table is sourced from UniChem at EBI.