Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C22H22N.HI/c1-23-14-12-21(13-15-23)22-16-19-7-6-17-2-4-18(5-3-17)8-10-20(22)11-9-19;/h2-5,9,11-16H,6-8,10H2,1H3;1H/q+1;/p-1
SMILES C[n+]1ccc(cc1)c1cc2ccc1CCc1ccc(CC2)cc1.[I-]
InChI Key HTDJDZOPDBAGQF-UHFFFAOYSA-M
Molecular Formula C22H22IN
Exact Mass 427.321 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HTDJDZOPDBAGQF-UHFFFAOYSA-M/13CNMR
License URL
Source https://www.chemotion-repository.net/inchikey/HTDJDZOPDBAGQF-UHFFFAOYSA-M/13CNMR
Version
Author Eduard Spuling
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-14
Related Molecule
  • 1-methyl-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyridin-1-ium;iodide
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138403282 PubChem
    The data in this table is sourced from UniChem at EBI.