Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C17H16N2O3S/c20-19(21)15-8-6-14(7-9-15)18-23(22,16-4-2-1-3-5-16)17-10-13(11-17)12-17/h1-9,13H,10-12H2
SMILES O=S(=Nc1ccc(cc1)[N+](=O)[O-])(C12CC(C1)C2)c1ccccc1
InChI Key ALPYHDRJUBWTEY-UHFFFAOYSA-N
Molecular Formula C17H16N2O3S
Exact Mass 328.386 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ALPYHDRJUBWTEY-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/ALPYHDRJUBWTEY-UHFFFAOYSA-N/CHMO0000595
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-17
Related Molecule
  • 1-bicyclo[1.1.1]pentanyl-(4-nitrophenyl)imino-oxo-phenyl-lambda6-sulfane
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145926375 PubChem
    The data in this table is sourced from UniChem at EBI.