Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C21H22N2O4S/c1-28(25,26)22(15-17-7-6-12-27-17)13-16(24)14-23-20-10-4-2-8-18(20)19-9-3-5-11-21(19)23/h2-12,16,24H,13-15H2,1H3
SMILES OC(CN(S(=O)(=O)C)Cc1ccco1)Cn1c2ccccc2c2c1cccc2
InChI Key OQAFDLPAPSSOHY-UHFFFAOYSA-N
Molecular Formula C21H22N2O4S
Exact Mass 398.475 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OQAFDLPAPSSOHY-UHFFFAOYSA-N/NMR/13C/CDCl3/75.1
License URL
Source https://www.chemotion-repository.net/inchikey/OQAFDLPAPSSOHY-UHFFFAOYSA-N/NMR/13C/CDCl3/75.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(furan-2-ylmethyl)methanesulfonamide
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:232813 chebi
    CHEMBL1498001 chembl
    15380452 surechembl
    29381903 surechembl
    30320185 surechembl
    2888648 pubchem
    PD019501 probes_and_drugs
    107346 bindingdb
    50458679 bindingdb
    51110792 bindingdb
    819879 bindingdb
    Molport-000-687-454 molport
    The data in this table is sourced from UniChem at EBI.