Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C17H18N6/c1-3-4-5-15-12-22(21-19-15)17-10-13(2)23(20-17)16-8-6-14(11-18)7-9-16/h6-10,12H,3-5H2,1-2H3
SMILES CCCCc1nnn(c1)c1nn(c(c1)C)c1ccc(cc1)C#N
InChI Key WZTARLNNZGQBDW-UHFFFAOYSA-N
Molecular Formula C17H18N6
Exact Mass 306.365 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WZTARLNNZGQBDW-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/WZTARLNNZGQBDW-UHFFFAOYSA-N/CHMO0000599
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-14
Related Molecule
  • 4-[3-(4-butyltriazol-1-yl)-5-methylpyrazol-1-yl]benzonitrile
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    title : SG-V4003 (7-12)

    date : 20231024

    starting time : 20.28 h

    label : SG-3383

    id : 280409

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    170459314 pubchem
    The data in this table is sourced from UniChem at EBI.