Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C7H7NO/c9-8-6-7-4-2-1-3-5-7/h1-6,9H/b8-6+
SMILES O/N=C/c1ccccc1
InChI Key VTWKXBJHBHYJBI-SOFGYWHQSA-N
Exact Mass 121.137 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VTWKXBJHBHYJBI-SOFGYWHQSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/VTWKXBJHBHYJBI-SOFGYWHQSA-N/CHMO0000593
Version
Author Robert Göstl
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-11-03
Related Molecule
  • (NE)-N-benzylidenehydroxylamine
    • Field Value
    Measurement Technique CHMO:0000593
    Measurement Variables
    Data-Source Molecule ID Data-Source
    TBP7JJ5HTH FDA SRS
    ZINC000100017610 ZINC
    SCHEMBL220641 SureChEMBL
    20035570 NMRShiftDB
    5324611 PubChem
    259964 Brenda
    15412774 PubChem: Thomson Pharma
    932-90-1 ACToR
    622-31-1 ACToR
    258989 Brenda
    491388 eMolecules
    CHEMBL135583 ChEMBL
    CAHDAQ CCDC
    J6.838A Nikkaji
    J131.184K Nikkaji
    CB2972646 ChemicalBook
    CB8189880 ChemicalBook
    The data in this table is sourced from UniChem at EBI.