Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C6H16N2/c1-7(2)5-6-8(3)4/h5-6H2,1-4H3
SMILES CN(CCN(C)C)C
InChI Key KWYHDKDOAIKMQN-UHFFFAOYSA-N
Molecular Formula C6H16N2
Exact Mass 116.205 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KWYHDKDOAIKMQN-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/KWYHDKDOAIKMQN-UHFFFAOYSA-N/CHMO0000595
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-04-15
Related Molecule
  • N,N,N',N'-tetramethylethane-1,2-diamine
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : CCP-1004

    Date : 20240409

    Start time : 16.10 h

    Label : CCP-965

    ID : 138201

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 300.0 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : spect

    Title : CCP-1004

    Date : 20240409

    Start time : 19.18 h

    Label : CCP-965

    ID : 138201

    Solvent : DMSO

    Temperature : 300.0 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : spect

    Data-Source Molecule ID Data-Source
    CHEBI:32850 chebi
    9U3 rcsb_pdb
    CHEMBL3181913 chembl
    15334 surechembl
    4658729 surechembl
    8037 pubchem
    K90JUB7941 fdasrs
    TAMWOX CCDC
    19051 brenda
    83257 brenda
    HMDB0258800 hmdb
    Molport-001-770-061 molport
    The data in this table is sourced from UniChem at EBI.