Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C23H22N2O2S/c1-3-9-19(10-4-1)26-16-15-25-22-14-8-7-13-21(22)24-23(25)28-18-17-27-20-11-5-2-6-12-20/h1-14H,15-18H2
SMILES c1ccc(cc1)OCCSc1nc2c(n1CCOc1ccccc1)cccc2
InChI Key BMYBAQRKMNRRGA-UHFFFAOYSA-N
Molecular Formula C23H22N2O2S
Exact Mass 390.498 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BMYBAQRKMNRRGA-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/BMYBAQRKMNRRGA-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 1-(2-phenoxyethyl)-2-(2-phenoxyethylsulfanyl)benzimidazole
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    2772622 pubchem
    Molport-000-901-415 molport
    The data in this table is sourced from UniChem at EBI.