Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C15H13NOS/c1-2-17-12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)18-15/h3-10H,2H2,1H3
SMILES CCOc1ccc(cc1)c1nc2c(s1)cccc2
InChI Key NAUXHTYTQIQZJI-UHFFFAOYSA-N
Molecular Formula C15H13NOS
Exact Mass 255.335 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NAUXHTYTQIQZJI-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/NAUXHTYTQIQZJI-UHFFFAOYSA-N/CHMO0000595
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-28
Related Molecule
  • 2-(4-ethoxyphenyl)-1,3-benzothiazole
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1808313 chembl
    13198328 surechembl
    3969908 pubchem
    Molport-001-578-325 molport
    The data in this table is sourced from UniChem at EBI.