Dataset

3,7-BIS(BROMOMETHYL)TROPOLONE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000762 contains the MS mass spectrum of 3,7-BIS(BROMOMETHYL)TROPOLONE with the InChIkey OPQWVLFKSUMZJT-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H8Br2O2/c10-4-6-2-1-3-7(5-11)9(13)8(6)12/h1-3H,4-5H2,(H,12,13)
SMILES BrCC(C=1)=C(O)C(=O)C(CBr)=CC1
InChI Key OPQWVLFKSUMZJT-UHFFFAOYSA-N
Molecular Formula C9H8Br2O2
Exact Mass 305.889 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-JP000762
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:39:36.531035
MetadataModified 2025-02-09T12:09:08.206472
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
13047638 PubChem
J45.791D Nikkaji
DTXSID80516336 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.