Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C17H18N2OS/c1-3-19(4-2)12-9-10-13(15(20)11-12)17-18-14-7-5-6-8-16(14)21-17/h5-11,20H,3-4H2,1-2H3
SMILES CCN(c1ccc(c(c1)O)c1nc2c(s1)cccc2)CC
InChI Key ZYCYJFGYAPFPFF-UHFFFAOYSA-N
Molecular Formula C17H18N2OS
Exact Mass 298.403 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZYCYJFGYAPFPFF-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/ZYCYJFGYAPFPFF-UHFFFAOYSA-N/CHMO0000595
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-28
Related Molecule
  • 2-(1,3-benzothiazol-2-yl)-5-(diethylamino)phenol
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    29473322 surechembl
    5975776 surechembl
    193939 pubchem
    142584 brenda
    The data in this table is sourced from UniChem at EBI.