Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C19H17N3/c1-13(2)18-19-20-12-17(14-8-4-3-5-9-14)22(19)16-11-7-6-10-15(16)21-18/h3-13H,1-2H3
SMILES CC(c1nc2ccccc2n2c1ncc2c1ccccc1)C
InChI Key BHEXWVNDDWQKFM-UHFFFAOYSA-N
Molecular Formula C19H17N3
Exact Mass 287.358 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BHEXWVNDDWQKFM-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/BHEXWVNDDWQKFM-UHFFFAOYSA-N/CHMO0000604
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-14
Related Molecule
  • 1-phenyl-4-propan-2-ylimidazo[1,2-a]quinoxaline
    • Field Value
    Measurement Technique heteronuclear single quantum coherence
    Measurement Variables
    title : KSS-R21-5-8

    date : 20231207

    starting time : 7.22 h

    label : KSS-60

    id : 285110

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.1 K

    PULPROG : hsqcedetgp

    number of scans : 2 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.