Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C15H15N2.HI/c1-16-13-10-6-7-11-14(13)17(2)15(16)12-8-4-3-5-9-12;/h3-11H,1-2H3;1H/q+1;/p-1
SMILES C[n+]1c(c2ccccc2)n(c2c1cccc2)C.[I-]
InChI Key SCLUKDJXJDLDKB-UHFFFAOYSA-M
Molecular Formula C15H15IN2
Exact Mass 350.197 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SCLUKDJXJDLDKB-UHFFFAOYSA-M/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/SCLUKDJXJDLDKB-UHFFFAOYSA-M/CHMO0000593
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-01
Related Molecule
  • 1,3-dimethyl-2-phenylbenzimidazol-3-ium;iodide
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : FAS-R22A

    date : 20240228

    starting time : 17.59 h

    label : FAS-115

    id : 117131

    Solvent : DMSO

    temperature : 300.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    1943619 eMolecules
    16867764 PubChem: Thomson Pharma
    11759881 PubChem
    The data in this table is sourced from UniChem at EBI.