Dataset

1,2,3,4,10,10-HEXACHLORO-6,7-EPOXY-1,4,4A,5,6,7,8,8A-OCTAHYDRO-ENDO,ENDO-,1,4:5,8-DIMETHANONAPHTHALENE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000960 contains the MS mass spectrum of 1,2,3,4,10,10-HEXACHLORO-6,7-EPOXY-1,4,4A,5,6,7,8,8A-OCTAHYDRO-ENDO,ENDO-,1,4:5,8-DIMETHANONAPHTHALENE with the InChIkey DFBKLUNHFCTMDC-GKRDHZSOSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2/t2-,3+,4-,5+,6-,7+,10-,11+
SMILES ClC(=C(Cl)1)C(Cl)(C(Cl)(Cl)2)C([H])(C([H])54)C([H])(C([H])(C5)C([H])(O3)C([H])34)C(Cl)12
InChI Key DFBKLUNHFCTMDC-GKRDHZSOSA-N
Molecular Formula C12H8Cl6O
Exact Mass 377.871 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-JP000960
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (1R,2R,3R,6S,7S,8S,9S,11R)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:81526 chebi
    CHEMBL2356732 chembl
    21820798 surechembl
    12358480 pubchem
    OB9NVE7YCL fdasrs
    ENDRIN CCDC
    DTXSID6020561 comptox
    The data in this table is sourced from UniChem at EBI.