Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H
SMILES O=Nc1ccccc1
InChI Key NLRKCXQQSUWLCH-UHFFFAOYSA-N
Molecular Formula C6H5NO
Exact Mass 107.110 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NLRKCXQQSUWLCH-UHFFFAOYSA-N/1HNMR
License URL
Source https://www.chemotion-repository.net/inchikey/NLRKCXQQSUWLCH-UHFFFAOYSA-N/1HNMR
Version
Author Patrick Hodapp
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-04-04
Related Molecule
  • nitrosobenzene
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:27986 chebi
    NBE rcsb_pdb
    CHEMBL98797 chembl
    103117 surechembl
    3176061 surechembl
    3176067 surechembl
    11473 pubchem
    PD053732 probes_and_drugs
    ZZZTQO CCDC
    18668 brenda
    37773 brenda
    NBE pdbe
    ZI9W9E8G2Z fdasrs
    HMDB0255658 hmdb
    DTXSID7060417 comptox
    Molport-001-780-259 molport
    50065935 bindingdb
    The data in this table is sourced from UniChem at EBI.