Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C20H17IO2/c21-19-12-5-4-11-18(19)20(22)16-9-6-10-17(13-16)23-14-15-7-2-1-3-8-15/h1-13,20,22H,14H2
SMILES Ic1ccccc1C(c1cccc(c1)OCc1ccccc1)O
InChI Key PNPXRYJZPWZJOP-UHFFFAOYSA-N
Molecular Formula C20H17IO2
Exact Mass 416.252 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PNPXRYJZPWZJOP-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/PNPXRYJZPWZJOP-UHFFFAOYSA-N/Mass/EI
Version
Author Tim Wezeman
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • (2-iodophenyl)-(3-phenylmethoxyphenyl)methanol
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427508 PubChem
    The data in this table is sourced from UniChem at EBI.