Dataset

4-PROPYLBENZOIC ACID METHYL ESTER; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002202 contains the MS mass spectrum of 4-PROPYLBENZOIC ACID METHYL ESTER with the InChIkey RXFJHVNBEFFCJX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H14O2/c1-3-4-9-5-7-10(8-6-9)11(12)13-2/h5-8H,3-4H2,1-2H3
SMILES CCCc(c1)ccc(c1)C(=O)OC
InChI Key RXFJHVNBEFFCJX-UHFFFAOYSA-N
Molecular Formula C11H14O2
Exact Mass 178.099 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-JP002202
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • methyl 4-propylbenzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    1807631 surechembl
    12861010 pubchem
    DTXSID70511714 comptox
    Molport-022-248-705 molport
    The data in this table is sourced from UniChem at EBI.