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/c1-10-3-8-13-14(9-10)18-15(16-13)11-4-6-12(17-2)7-5-11/h3-9H,1-2H3
SMILES COc1ccc(cc1)c1nc2c(s1)cc(cc2)C
InChI Key AWYKSNJSUDJLBZ-UHFFFAOYSA-N
Molecular Formula C15H13NOS
Exact Mass 255.335 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AWYKSNJSUDJLBZ-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/AWYKSNJSUDJLBZ-UHFFFAOYSA-N/CHMO0000595
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-28
Related Molecule
  • 2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    12939261 pubchem
    The data in this table is sourced from UniChem at EBI.