Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C6H9N/c7-5-6-3-1-2-4-6/h6H,1-4H2
SMILES N#CC1CCCC1
InChI Key SVPZJHKVRMRREG-UHFFFAOYSA-N
Exact Mass 95.142 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SVPZJHKVRMRREG-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/SVPZJHKVRMRREG-UHFFFAOYSA-N/CHMO0000599
Version
Author Jana Barylko
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-12
Related Molecule
  • cyclopentanecarbonitrile
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    495719 eMolecules
    4254-02-8 ACToR
    16007277 PubChem: Thomson Pharma
    DTXSID70195331 EPA CompTox Dashboard
    ZINC000002560410 ZINC
    96309 Brenda
    CB7669781 ChemicalBook
    123711 Brenda
    MCULE-1484517612 Mcule
    20044914 NMRShiftDB
    SCHEMBL56954 SureChEMBL
    77935 PubChem
    J205.667D Nikkaji
    The data in this table is sourced from UniChem at EBI.