Dataset

2-Ethylhexyl 4-(dimethylamino)benzoate; LC-ESI-QFT; MS2; CE: 90%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01107506 contains the MS2 mass spectrum of 2-Ethylhexyl 4-(dimethylamino)benzoate with the InChIkey WYWZRNAHINYAEF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H27NO2/c1-5-7-8-14(6-2)13-20-17(19)15-9-11-16(12-10-15)18(3)4/h9-12,14H,5-8,13H2,1-4H3
SMILES CCCCC(CC)COC(=O)C1=CC=C(C=C1)N(C)C
InChI Key WYWZRNAHINYAEF-UHFFFAOYSA-N
Molecular Formula C17H27NO2
Exact Mass 277.204 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01107506
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MetadataPublished 2024-06-14
Related Molecule
  • 2-ethylhexyl 4-(dimethylamino)benzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB11570 drugbank
    CHEBI:135932 chebi
    CHEMBL1323699 chembl
    15432 surechembl
    30541 pubchem
    PD013464 probes_and_drugs
    Z11006CMUZ fdasrs
    HMDB0245607 hmdb
    Molport-002-501-948 molport
    4270 drugcentral
    The data in this table is sourced from UniChem at EBI.