Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C22H23N3O3S/c1-2-27-21(26)12-7-13-25-19-10-5-4-9-18(19)24-22(25)29-15-14-28-20-11-6-3-8-17(20)16-23/h3-6,8-11H,2,7,12-15H2,1H3
SMILES CCOC(=O)CCCn1c(SCCOc2ccccc2C#N)nc2c1cccc2
InChI Key LYZVBAPWQKUVHX-UHFFFAOYSA-N
Molecular Formula C22H23N3O3S
Exact Mass 409.501 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LYZVBAPWQKUVHX-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/LYZVBAPWQKUVHX-UHFFFAOYSA-N/Mass/EI.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-10-31
Related Molecule
  • ethyl 4-[2-[2-(2-cyanophenoxy)ethylsulfanyl]benzimidazol-1-yl]butanoate
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    92042816 PubChem
    The data in this table is sourced from UniChem at EBI.