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/2C20H20NP.2C2H2N3.2Cu/c2*1-21(2)19-15-9-10-16-20(19)22(17-11-5-3-6-12-17)18-13-7-4-8-14-18;2*1-3-2-5-4-1;;/h2*3-16H,1-2H3;2*1-2H;;/q;;2*-1;2*+1
SMILES CN(c1ccccc1P(c1ccccc1)c1ccccc1)C.CN(c1ccccc1P(c1ccccc1)c1ccccc1)C.[Cu]n1cncn1.[Cu]n1cncn1
InChI Key XOTGHFDJNKWHEE-UHFFFAOYSA-N
Molecular Formula C44H44Cu2N8P2
Exact Mass 873.913 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XOTGHFDJNKWHEE-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/XOTGHFDJNKWHEE-UHFFFAOYSA-N/CHMO0001146
Version
Author Xuemin Gan
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-04-09
Related Molecule
  • copper(1+);2,4-diaza-1-azanidacyclopenta-2,4-diene;2-diphenylphosphanyl-N,N-dimethylaniline
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    title : Apr04-2024

    date : 20240405

    starting time : 1.36 h

    label : VF-904

    id : 116286

    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
    172914200 pubchem
    The data in this table is sourced from UniChem at EBI.