Dataset

Benzoximate

This MassBank record with Accession MSBNK-Eawag-EQ01120809 contains the MS2 mass spectrum of Benzoximate with the InChIkey BZMIHNKNQJJVRO-UHFFFAOYSA-N.

Chemical Info

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-EQ01120809
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:36:15.278432
MetadataModified 2025-02-09T10:32:47.615066
MetadataPublished 2023-04-27
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.