Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C8H5ClN2/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5H
SMILES Clc1cnc2c(n1)cccc2
InChI Key BYHVGQHIAFURIL-UHFFFAOYSA-N
Molecular Formula C8H5ClN2
Exact Mass 164.592 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BYHVGQHIAFURIL-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/BYHVGQHIAFURIL-UHFFFAOYSA-N/CHMO0000593
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-21
Related Molecule
  • 2-chloroquinoxaline
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000000388228 ZINC
    HMDB0245081 Human Metabolome Database
    227908 Brenda
    J298.633G Nikkaji
    GOLYAI CCDC
    CB6182221 ChemicalBook
    MCULE-5828586417 Mcule
    481091 eMolecules
    238938 PubChem
    16130175 PubChem: Thomson Pharma
    1448-87-9 ACToR
    SCHEMBL222284 SureChEMBL
    E9X60Z79BG FDA SRS
    The data in this table is sourced from UniChem at EBI.