Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C18H20N2S/c1-4-20(5-2)15-9-7-14(8-10-15)18-19-16-11-6-13(3)12-17(16)21-18/h6-12H,4-5H2,1-3H3
SMILES CCN(c1ccc(cc1)c1nc2c(s1)cc(cc2)C)CC
InChI Key YEMJQXMSJPHNFJ-UHFFFAOYSA-N
Molecular Formula C18H20N2S
Exact Mass 296.430 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YEMJQXMSJPHNFJ-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/YEMJQXMSJPHNFJ-UHFFFAOYSA-N/CHMO0000595
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-28
Related Molecule
  • N,N-diethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID70144561 EPA CompTox Dashboard
    J227.108G Nikkaji
    10205-63-7 ACToR
    SCHEMBL3411815 SureChEMBL
    82451 PubChem
    The data in this table is sourced from UniChem at EBI.