Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C6H8N2O2S/c7-8-11(9,10)6-4-2-1-3-5-6/h1-5,8H,7H2
SMILES NNS(=O)(=O)c1ccccc1
InChI Key VJRITMATACIYAF-UHFFFAOYSA-N
Molecular Formula C6H8N2O2S
Exact Mass 172.205 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VJRITMATACIYAF-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/VJRITMATACIYAF-UHFFFAOYSA-N/CHMO0000599
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-11-07
Related Molecule
  • benzenesulfonohydrazide
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    title : SG-CCP-3659

    date : 20231103

    starting time : 22.00 h

    label : CCP-3488

    id : 281626

    Solvent : DMSO

    temperature : 300.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    WM3 rcsb_pdb
    1109 surechembl
    65723 pubchem
    SEGLAR CCDC
    AC8C87U2TA fdasrs
    Molport-000-556-125 molport
    The data in this table is sourced from UniChem at EBI.