Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C9H11N2.HI/c1-10-7-11(2)9-6-4-3-5-8(9)10;/h3-7H,1-2H3;1H/q+1;/p-1
SMILES C[n+]1cn(c2c1cccc2)C.[I-]
InChI Key RQGURHMTNSNBQX-UHFFFAOYSA-M
Exact Mass 274.102 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RQGURHMTNSNBQX-UHFFFAOYSA-M/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/RQGURHMTNSNBQX-UHFFFAOYSA-M/CHMO0000595
Version
Author Clara Adam
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-03-18
Related Molecule
  • 1,3-dimethylbenzimidazol-3-ium;iodide
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : Apr24-2023

    date : 20230425

    starting time : 2.24 h

    label : CRA-6

    id : 101669

    Solvent : DMSO

    temperature : 298.0 K

    PULPROG : zgpg30

    number of scans : 1024 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    1744004 surechembl
    30731330 surechembl
    11821793 pubchem
    Molport-002-474-364 molport
    The data in this table is sourced from UniChem at EBI.