Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H12N2S/c1-15-11-8-6-10(7-9-11)14-16-12-4-2-3-5-13(12)17-14/h2-9,15H,1H3
SMILES CNc1ccc(cc1)c1nc2c(s1)cccc2
InChI Key FHJRKGXJBXPBGA-UHFFFAOYSA-N
Molecular Formula C14H12N2S
Exact Mass 240.323 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FHJRKGXJBXPBGA-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/FHJRKGXJBXPBGA-UHFFFAOYSA-N/CHMO0000593
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-28
Related Molecule
  • 4-(1,3-benzothiazol-2-yl)-N-methylaniline
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    14798355 PubChem: Thomson Pharma
    9837643 PubChem
    13733363 eMolecules
    SCHEMBL493341 SureChEMBL
    MCULE-1916022702 Mcule
    CHEMBL93334 ChEMBL
    DTXSID90431602 EPA CompTox Dashboard
    ZINC000000009200 ZINC
    50109052 BindingDB
    J1.679.284E Nikkaji
    CB1972568 ChemicalBook
    The data in this table is sourced from UniChem at EBI.