Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

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/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/SBNOTUDDIXOFSN-UHFFFAOYSA-N/CHMO0000595
Version
Author Jana Alpin
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-01-08
Related Molecule
  • 1H-indole-2-carbaldehyde
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID50172468 EPA CompTox Dashboard
    251804 Brenda
    J1.035.660A Nikkaji
    50037781 BindingDB
    R5N9CD7DLM FDA SRS
    CHEMBL223708 ChEMBL
    96389 PubChem
    9FF PDBe
    15120099 PubChem: Thomson Pharma
    SCHEMBL98455 SureChEMBL
    19005-93-7 ACToR
    985174 eMolecules
    CB4841584 ChemicalBook
    ZINC000004100123 ZINC
    MCULE-6191488524 Mcule
    The data in this table is sourced from UniChem at EBI.