Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C14H10N6/c1-2-6-10(7-3-1)15-13-14-17-18-19-20(14)12-9-5-4-8-11(12)16-13/h1-9H,(H,15,16)
SMILES c1ccc(cc1)Nc1nc2ccccc2n2c1nnn2
InChI Key HEROYCYJPFRIST-UHFFFAOYSA-N
Exact Mass 262.269 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HEROYCYJPFRIST-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/HEROYCYJPFRIST-UHFFFAOYSA-N/CHMO0000604
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • N-phenyltetrazolo[1,5-a]quinoxalin-4-amine
    • Field Value
    Measurement Technique heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1510453 ChEMBL
    ZINC000001431865 ZINC
    75029 BindingDB
    MCULE-2656979140 Mcule
    1511413 PubChem
    2629174 eMolecules
    The data in this table is sourced from UniChem at EBI.