Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C9H7NO/c11-9-3-1-2-7-6-10-5-4-8(7)9/h1-6,11H
SMILES Oc1cccc2c1ccnc2
InChI Key CSNXUYRHPXGSJD-UHFFFAOYSA-N
Molecular Formula C9H7NO
Exact Mass 145.158 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CSNXUYRHPXGSJD-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/CSNXUYRHPXGSJD-UHFFFAOYSA-N/CHMO0001150
Version
Author Jana Alpin
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-04-13T02:13:44.910042
MetadataModified 2025-04-13T02:13:44.910048
MetadataPublished 2025-04-10
Related Molecule
  • isoquinolin-5-ol
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    30386 PubChem
    16483671 PubChem: Thomson Pharma
    2439-04-5 ACToR
    SCHEMBL276518 SureChEMBL
    539092 eMolecules
    43546 Brenda
    MCULE-8624924478 Mcule
    J216.078A Nikkaji
    50240538 BindingDB
    ZINC000000404427 ZINC
    5SG PDBe
    GIXXUJ CCDC
    CB9174379 ChemicalBook
    CHEMBL57481 ChEMBL
    The data in this table is sourced from UniChem at EBI.