Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C9H7NO/c11-9-3-1-2-7-4-5-10-6-8(7)9/h1-6,11H
SMILES Oc1cccc2c1cncc2
InChI Key ZIXWTPREILQLAC-UHFFFAOYSA-N
Molecular Formula C9H7NO
Exact Mass 145.158 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZIXWTPREILQLAC-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/ZIXWTPREILQLAC-UHFFFAOYSA-N/CHMO0000593
Version
Author Jana Alpin
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-01-22
Related Molecule
  • isoquinolin-8-ol
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB3957147 ChemicalBook
    J1.398.041A Nikkaji
    ZINC000006513210 ZINC
    7587001 eMolecules
    SCHEMBL276528 SureChEMBL
    3482-14-2 ACToR
    135441711 PubChem
    The data in this table is sourced from UniChem at EBI.