Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H13NO2S/c16-18(17,14-7-10(8-14)9-14)13-12-4-2-1-3-11(12)5-6-15-13/h1-6,10H,7-9H2
SMILES O=S(=O)(C12CC(C1)C2)c1nccc2c1cccc2
InChI Key XJYCXWYTZQRPFO-UHFFFAOYSA-N
Molecular Formula C14H13NO2S
Exact Mass 259.324 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XJYCXWYTZQRPFO-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/XJYCXWYTZQRPFO-UHFFFAOYSA-N/CHMO0000595
Version
Author Robin Bär
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-17
Related Molecule
  • 1-(1-bicyclo[1.1.1]pentanylsulfonyl)isoquinoline
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145926358 PubChem
    The data in this table is sourced from UniChem at EBI.