Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C7H4Cl2N2/c8-6-3-1-2-5(4-6)7(9)10-11-7/h1-4H
SMILES Clc1cccc(c1)C1(Cl)N=N1
InChI Key USTAQRLLPSCVOB-UHFFFAOYSA-N
Molecular Formula C7H4Cl2N2
Exact Mass 187.026 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/USTAQRLLPSCVOB-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/USTAQRLLPSCVOB-UHFFFAOYSA-N/CHMO0000593
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-21
Related Molecule
  • 3-chloro-3-(3-chlorophenyl)diazirine
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : Mar07-2024

    date : 20240307

    starting time : 8.26 h

    label : KT-793

    id : 298336

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    J2.790.806C Nikkaji
    102300812 PubChem
    The data in this table is sourced from UniChem at EBI.