Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C9H7NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-6,10H
SMILES O=Cc1cc2c([nH]1)cccc2
InChI Key SBNOTUDDIXOFSN-UHFFFAOYSA-N
Molecular Formula C9H7NO
Exact Mass 145.158 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SBNOTUDDIXOFSN-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/SBNOTUDDIXOFSN-UHFFFAOYSA-N/CHMO0001146
Version
Author Jana Alpin
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-01-08
Related Molecule
  • 1H-indole-2-carbaldehyde
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    9FF rcsb_pdb
    CHEMBL223708 chembl
    98455 surechembl
    96389 pubchem
    R5N9CD7DLM fdasrs
    PD236732 probes_and_drugs
    251804 brenda
    Molport-001-769-274 molport
    50037781 bindingdb
    The data in this table is sourced from UniChem at EBI.