Dataset

3,7-BIS(BROMOMETHYL)TROPOLONE; EI-B; MS

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 Information

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
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 3,7-bis(bromomethyl)-2-hydroxycyclohepta-2,4,6-trien-1-one
    • 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.