Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

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/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/DPKBAXPHAYBPRL-UHFFFAOYSA-M/CHMO0001148
Version
Author Alex Johnson
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-17
Related Molecule
  • tetrabutylazanium;iodide
    • Field Value
    Measurement Technique 1H–13C heteronuclear multiple bond coherence
    Measurement Variables
    title : AJ_311-28-4_CDCl3_Full

    date : 20240619

    starting time : 23.08 h

    label : ACJ-21

    id : 117867

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : hmbcetgpl3nd

    number of scans : 4 scans

    instrument : AVIII300

    Data-Source Molecule ID Data-Source
    22005936 PubChem
    MCULE-5045350443 Mcule
    481570 eMolecules
    67553 PubChem
    CHEMBL1079248 ChEMBL
    95141 Brenda
    DTXSID30878092 EPA CompTox Dashboard
    CB0187592 ChemicalBook
    SCHEMBL24883 SureChEMBL
    14877303 PubChem: Thomson Pharma
    311-28-4 ACToR
    The data in this table is sourced from UniChem at EBI.