Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C16H14I2/c17-15-10-14-8-6-12-2-1-11(3-4-12)5-7-13(15)9-16(14)18/h1-4,9-10H,5-8H2
SMILES Ic1cc2CCc3ccc(CCc1cc2I)cc3
InChI Key ZNKKJEBSWNCGDA-UHFFFAOYSA-N
Molecular Formula C16H14I2
Exact Mass 460.091 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZNKKJEBSWNCGDA-UHFFFAOYSA-N/CHMO0000480
License URL
Source https://www.chemotion-repository.net/inchikey/ZNKKJEBSWNCGDA-UHFFFAOYSA-N/CHMO0000480
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-05-24
Related Molecule
  • 5,15-diiodotricyclo[8.2.2.24,7]hexadeca-1(13),4(16),5,7(15),10(14),11-hexaene
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    155919819 PubChem
    TENXES CCDC
    The data in this table is sourced from UniChem at EBI.