Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C16H15NOS/c1-3-18-13-7-5-12(6-8-13)16-17-14-9-4-11(2)10-15(14)19-16/h4-10H,3H2,1-2H3
SMILES CCOc1ccc(cc1)c1nc2c(s1)cc(cc2)C
InChI Key AZFTWUQDMMNFBC-UHFFFAOYSA-N
Molecular Formula C16H15NOS
Exact Mass 269.361 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AZFTWUQDMMNFBC-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/AZFTWUQDMMNFBC-UHFFFAOYSA-N/CHMO0000593
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-28
Related Molecule
  • 2-(4-ethoxyphenyl)-6-methyl-1,3-benzothiazole
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000073635065 ZINC
    13797185 PubChem
    The data in this table is sourced from UniChem at EBI.