Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C6H4ClN3/c7-6(9-10-6)5-3-1-2-4-8-5/h1-4H
SMILES ClC1(N=N1)c1ccccn1
InChI Key PJKIQSQWULDNAG-UHFFFAOYSA-N
Molecular Formula C6H4ClN3
Exact Mass 153.569 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PJKIQSQWULDNAG-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/PJKIQSQWULDNAG-UHFFFAOYSA-N/CHMO0000593
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-21
Related Molecule
  • 2-(3-chlorodiazirin-3-yl)pyridine
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : Jan26-2024

    date : 20240126

    starting time : 13.36 h

    label : KT-675

    id : 292436

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    15983131 PubChem: Thomson Pharma
    J2.687.756C Nikkaji
    SCHEMBL9631780 SureChEMBL
    10931645 PubChem
    The data in this table is sourced from UniChem at EBI.