Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

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/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/GEADTXMTKSHUOE-UHFFFAOYSA-M/CHMO0000601
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 multiple bond coherence
    Measurement Variables
    Date : 2023-02-21

    Starting time : 22:11:32 UTC

    Creator : Jana Barylko

    label : JBA-498

    id : 138599

    Solvent used for referencing : CDCl3

    temperature : 300.0013 K

    PULPROG : hmbcgpndqf

    number of scans : 8 scans

    instrument : spect

    Name : TopSpin

    Version : 3.5 pl 6

    Data-Source Molecule ID Data-Source
    16770137 PubChem: Thomson Pharma
    11666349 PubChem
    The data in this table is sourced from UniChem at EBI.