Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C15H11ClN6/c1-9-10(16)5-4-7-11(9)17-14-15-19-20-21-22(15)13-8-3-2-6-12(13)18-14/h2-8H,1H3,(H,17,18)
SMILES Cc1c(Cl)cccc1Nc1nc2ccccc2n2c1nnn2
InChI Key LLKOACLGSRQDNN-UHFFFAOYSA-N
Exact Mass 310.741 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LLKOACLGSRQDNN-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/LLKOACLGSRQDNN-UHFFFAOYSA-N/CHMO0000601
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • N-(3-chloro-2-methylphenyl)tetrazolo[1,5-a]quinoxalin-4-amine
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    2598590 eMolecules
    ZINC000004922958 ZINC
    MCULE-8126834708 Mcule
    22431256 PubChem
    The data in this table is sourced from UniChem at EBI.