Dataset

2,41-DICHLOROBENZOPHEWONE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004108 contains the MS mass spectrum of 2,41-DICHLOROBENZOPHEWONE with the InChIkey YXMYPHLWXBXNFF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H8Cl2O/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H
SMILES Clc(c2)ccc(c2)C(=O)c(c1)c(Cl)ccc1
InChI Key YXMYPHLWXBXNFF-UHFFFAOYSA-N
Molecular Formula C13H8Cl2O
Exact Mass 249.995 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-JP004108
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:57:56.418843
MetadataModified 2024-01-11T15:57:56.580387
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1862965 ChEMBL
MEPFIA CCDC
J37.614K Nikkaji
DTXSID6058920 EPA CompTox Dashboard
ZINC000000156625 ZINC
H3N0V78I65 FDA SRS
85-29-0 ACToR
15998174 PubChem: Thomson Pharma
66558 PubChem
SCHEMBL2991958 SureChEMBL
20202081 NMRShiftDB
MCULE-3187405027 Mcule
4927779 eMolecules
CB0221304 ChemicalBook
The data in this table is sourced from UniChem at EBI.