Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C13H19N2.BrH/c1-10(2)14-9-15(11(3)4)13-8-6-5-7-12(13)14;/h5-11H,1-4H3;1H/q+1;/p-1
SMILES CC(n1c[n+](c2c1cccc2)C(C)C)C.[Br-]
InChI Key GEADTXMTKSHUOE-UHFFFAOYSA-M
Exact Mass 283.207 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GEADTXMTKSHUOE-UHFFFAOYSA-M/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/GEADTXMTKSHUOE-UHFFFAOYSA-M/CHMO0000604
Version
Author Jana Barylko
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-07-25
Related Molecule
  • 1,3-di(propan-2-yl)benzimidazol-3-ium;bromide
    • Field Value
    Measurement Technique heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    16770137 PubChem: Thomson Pharma
    11666349 PubChem
    The data in this table is sourced from UniChem at EBI.