Dataset

Diethofencarb

This MassBank record with Accession MSBNK-Eawag-EQ00351701 contains the MS2 mass spectrum of Diethofencarb with the InChIkey LNJNFVJKDJYTEU-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)
SMILES CCOC1=C(C=C(C=C1)NC(=O)OC(C)C)OCC
InChI Key LNJNFVJKDJYTEU-UHFFFAOYSA-N
Molecular Formula C14H21NO4
Exact Mass 267.147 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-EQ00351701
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:34:31.184810
MetadataModified 2025-02-09T10:34:31.350666
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL22967 SureChEMBL
20208824 NMRShiftDB
ZINC000000900770 ZINC
91742 PubChem
4520 ChEBI
14872542 PubChem: Thomson Pharma
87130-20-9 ACToR
421BLT77U4 FDA SRS
5757972 eMolecules
J135.062E Nikkaji
CB2469076 ChemicalBook
HY-136384 MedChemExpress
DTXSID5037527 EPA CompTox Dashboard
CHEMBL1880404 ChEMBL
C11077 KEGG Ligand
The data in this table is sourced from UniChem at EBI.