Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H15NOS/c13-15(14,12-6-11(7-12)8-12)9-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2
SMILES N=S(=O)(C12CC(C1)C2)Cc1ccccc1
InChI Key AICNJBZHCMEDFX-UHFFFAOYSA-N
Molecular Formula C12H15NOS
Exact Mass 221.319 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AICNJBZHCMEDFX-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/AICNJBZHCMEDFX-UHFFFAOYSA-N/CHMO0000593
Version
Author Martin Nieger
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-17
Related Molecule
  • benzyl-(1-bicyclo[1.1.1]pentanyl)-imino-oxo-lambda6-sulfane
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145926396 PubChem
    The data in this table is sourced from UniChem at EBI.