Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H36N.HI/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
SMILES CCCC[N+](CCCC)(CCCC)CCCC.[I-]
InChI Key DPKBAXPHAYBPRL-UHFFFAOYSA-M
Molecular Formula C16H36IN
Exact Mass 369.368 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DPKBAXPHAYBPRL-UHFFFAOYSA-M/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/DPKBAXPHAYBPRL-UHFFFAOYSA-M/CHMO0000595
Version
Author Alex Johnson
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-17
Related Molecule
  • tetrabutylazanium;iodide
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : AJ_311-28-4_CDCl3_Full

    Date : 20240619

    Start time : 11.01 h

    Label : ACJ-21

    ID : 117867

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 298.0 K K

    Puls programme : zgpg60_ncl

    Number of scans : 128

    Instrument : AVIII300

    Data-Source Molecule ID Data-Source
    CHEMBL1079248 chembl
    24883 surechembl
    22005936 pubchem
    67553 pubchem
    6M53DT4JNG fdasrs
    95141 brenda
    Molport-000-692-457 molport
    The data in this table is sourced from UniChem at EBI.