Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C7H4Cl2N2/c8-6-3-1-5(2-4-6)7(9)10-11-7/h1-4H
SMILES Clc1ccc(cc1)C1(Cl)N=N1
InChI Key RYYJJENVUDZMCO-UHFFFAOYSA-N
Molecular Formula C7H4Cl2N2
Exact Mass 187.026 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RYYJJENVUDZMCO-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/RYYJJENVUDZMCO-UHFFFAOYSA-N/CHMO0000599
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-21
Related Molecule
  • 3-chloro-3-(4-chlorophenyl)diazirine
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    title : Mar06-2024

    date : 20240306

    starting time : 8.42 h

    label : KT-790

    id : 298187

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    15899311 PubChem: Thomson Pharma
    10856218 PubChem
    J574.212I Nikkaji
    The data in this table is sourced from UniChem at EBI.