Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H11NOS/c1-9-2-7-12-13(8-9)17-14(15-12)10-3-5-11(16)6-4-10/h2-8,16H,1H3
SMILES Oc1ccc(cc1)c1nc2c(s1)cc(cc2)C
InChI Key YRPIXORGESANFA-UHFFFAOYSA-N
Molecular Formula C14H11NOS
Exact Mass 241.308 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YRPIXORGESANFA-UHFFFAOYSA-N/CHMO0000593.4
License URL
Source https://www.chemotion-repository.net/inchikey/YRPIXORGESANFA-UHFFFAOYSA-N/CHMO0000593.4
Version
Author Patrick Hodapp
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-03-11
Related Molecule
  • 4-(6-methyl-1,3-benzothiazol-2-yl)phenol
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000000157514 ZINC
    348697 PubChem
    SCHEMBL2244143 SureChEMBL
    1397703 eMolecules
    7621-87-6 ACToR
    MCULE-4466281146 Mcule
    The data in this table is sourced from UniChem at EBI.