Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C16H15N3/c17-19-18-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9H2
SMILES [N-]=[N+]=Nc1cc2CCc3ccc(CCc1cc2)cc3
InChI Key BWVPTMJTRJUYPG-UHFFFAOYSA-N
Molecular Formula C16H15N3
Exact Mass 249.310 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BWVPTMJTRJUYPG-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/BWVPTMJTRJUYPG-UHFFFAOYSA-N/CHMO0000599
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-21
Related Molecule
  • 5-azidotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    title : Nov30-2023

    date : 20231130

    starting time : 16.12 h

    label : KT-507

    id : 285275

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    101805696 pubchem
    The data in this table is sourced from UniChem at EBI.