Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C6H4N2Se/c1-2-4-6-5(3-1)7-9-8-6/h1-4H
SMILES c1ccc2c(c1)n[se]n2
InChI Key AYTPIVIDHMVGSX-UHFFFAOYSA-N
Molecular Formula C6H4N2Se
Exact Mass 183.069 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AYTPIVIDHMVGSX-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/AYTPIVIDHMVGSX-UHFFFAOYSA-N/CHMO0001146
Version
Author Valentina Ferraro
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-23
Related Molecule
  • 2,1,3-benzoselenadiazole
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    title : Mar04-2024

    date : 20240305

    starting time : 2.58 h

    label : VF-875

    id : 115827

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : hsqcedetgpsisp2.3

    number of scans : 4 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    67503 PubChem
    534891 eMolecules
    273-15-4 ACToR
    44Z4759EKU FDA SRS
    10016251 NMRShiftDB
    SCHEMBL766609 SureChEMBL
    MCULE-1218109825 Mcule
    CB1928707 ChemicalBook
    J99.481B Nikkaji
    DTXSID60181743 EPA CompTox Dashboard
    BESEAZ CCDC
    104171897 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.