Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C7H7N/c1-2-7-4-3-5-8-6-7/h2-6H,1H2
SMILES C=Cc1cccnc1
InChI Key DPZYLEIWHTWHCU-UHFFFAOYSA-N
Molecular Formula C7H7N
Exact Mass 105.137 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DPZYLEIWHTWHCU-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/DPZYLEIWHTWHCU-UHFFFAOYSA-N/CHMO0000593
Version
Author Yichuan Wang
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-12-07
Related Molecule
  • 3-ethenylpyridine
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    A1AR3 rcsb_pdb
    CHEMBL5421059 chembl
    12305238 surechembl
    20995 surechembl
    29522900 surechembl
    14272 pubchem
    R9ZU09Z27A fdasrs
    A1AR3 pdbe
    DTXSID90149912 comptox
    Molport-001-770-228 molport
    50622789 bindingdb
    The data in this table is sourced from UniChem at EBI.