Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C21H26O2S2/c1-3-7-19(8-4-1)17-22-13-11-21(24-15-16-25-21)12-14-23-18-20-9-5-2-6-10-20/h1-10H,11-18H2
SMILES O(Cc1ccccc1)CCC1(CCOCc2ccccc2)SCCS1
InChI Key QQXPAKWFCLXRJQ-UHFFFAOYSA-N
Molecular Formula C21H26O2S2
Exact Mass 374.560 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QQXPAKWFCLXRJQ-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/QQXPAKWFCLXRJQ-UHFFFAOYSA-N/Mass/EI
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2,2-bis(2-phenylmethoxyethyl)-1,3-dithiolane
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    14451048 PubChem
    The data in this table is sourced from UniChem at EBI.