Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C21H15IO3/c22-17-11-4-3-9-15(17)20(25)21-12-6-5-10-16(21)18(23)13-7-1-2-8-14(13)19(21)24/h1-9,11,16H,10,12H2/t16-,21+/m0/s1
SMILES Ic1ccccc1C(=O)[C@]12CC=CC[C@H]1C(=O)c1c(C2=O)cccc1
InChI Key TZBXDZKIGZSTDC-HRAATJIYSA-N
Molecular Formula C21H15IO3
Exact Mass 442.246 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/TZBXDZKIGZSTDC-HRAATJIYSA-N/CHMO0000480
License URL
Source https://www.chemotion-repository.net/inchikey/TZBXDZKIGZSTDC-HRAATJIYSA-N/CHMO0000480
Version
Author Janina Beck
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-05-07
Related Molecule
  • (4aR,9aR)-9a-(2-iodobenzoyl)-4,4a-dihydro-1H-anthracene-9,10-dione
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146035817 PubChem
    UYUYOF CCDC
    The data in this table is sourced from UniChem at EBI.