Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C5H5N.ClH/c1-2-4-6-5-3-1;/h1-5H;1H
SMILES c1cccnc1.Cl
InChI Key AOJFQRQNPXYVLM-UHFFFAOYSA-N
Molecular Formula C5H6ClN
Exact Mass 115.561 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AOJFQRQNPXYVLM-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/AOJFQRQNPXYVLM-UHFFFAOYSA-N/CHMO0000593
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-26
Related Molecule
  • pyridin-1-ium;chloride
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : FAS-Pyridin-UCl

    date : 20240814

    starting time : 15.43 h

    label : CCP-3580

    id : 321691

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    23609 surechembl
    312621 surechembl
    10176127 pubchem
    12777679 pubchem
    22666620 pubchem
    69401 pubchem
    1U87419851 fdasrs
    Molport-003-928-425 molport
    The data in this table is sourced from UniChem at EBI.