Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)
SMILES c1ncc[nH]1
InChI Key RAXXELZNTBOGNW-UHFFFAOYSA-N
Molecular Formula C3H4N2
Exact Mass 68.077 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RAXXELZNTBOGNW-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/RAXXELZNTBOGNW-UHFFFAOYSA-N/CHMO0000599
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-12-13
Related Molecule
  • 1H-imidazole
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB6460617 ChemicalBook
    16069 Rhea
    HMDB0001525 Human Metabolome Database
    470 Brenda
    DB03366 DrugBank
    30085 Brenda
    10008798 NMRShiftDB
    MCULE-1410806694 Mcule
    SCHEMBL897 SureChEMBL
    514577 eMolecules
    116421-26-2 ACToR
    7GBN705NH1 FDA SRS
    imidazole Atlas
    PD059667 ProbesDrugs
    15321012 PubChem: Thomson Pharma
    795 PubChem
    J2.566F Nikkaji
    DTXSID2029616 EPA CompTox Dashboard
    7882 BindingDB
    HY-D0837 MedChemExpress
    ZINC000000901039 ZINC
    IMAZOL CCDC
    C01589 KEGG Ligand
    CHEMBL540 ChEMBL
    16069 ChEBI
    The data in this table is sourced from UniChem at EBI.