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.BrH/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.[Br-]
InChI Key JRMUNVKIHCOMHV-UHFFFAOYSA-M
Molecular Formula C16H36BrN
Exact Mass 322.368 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JRMUNVKIHCOMHV-UHFFFAOYSA-M/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/JRMUNVKIHCOMHV-UHFFFAOYSA-M/CHMO0000595
Version
Author Alex Johnson
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-07
Related Molecule
  • tetrabutylazanium;bromide
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:51993 chebi
    CHEMBL60696 chembl
    1891 surechembl
    22020579 pubchem
    74236 pubchem
    VJZ168I98R fdasrs
    55176 brenda
    Molport-000-763-476 molport
    The data in this table is sourced from UniChem at EBI.