Dataset

Benzoximate; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01120804 contains the MS2 mass spectrum of Benzoximate with the InChIkey BZMIHNKNQJJVRO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H18ClNO5/c1-4-24-20-17(25-18(21)12-8-6-5-7-9-12)15-14(22-2)11-10-13(19)16(15)23-3/h5-11H,4H2,1-3H3
SMILES CCON=C(C1=C(C=CC(=C1OC)Cl)OC)OC(=O)C2=CC=CC=C2
InChI Key BZMIHNKNQJJVRO-UHFFFAOYSA-N
Molecular Formula C18H18ClNO5
Exact Mass 363.087 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01120804
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MetadataPublished 2023-04-27
Related Molecule
  • [C-(3-chloro-2,6-dimethoxyphenyl)-N-ethoxycarbonimidoyl] benzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    38813 ChEBI
    571084 PubChem
    31216788 eMolecules
    DTXSID8041660 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.