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/2C20H18F2NP.2C2H2N3.2Cu/c2*1-23(2)19-5-3-4-6-20(19)24(17-11-7-15(21)8-12-17)18-13-9-16(22)10-14-18;2*1-3-2-5-4-1;;/h2*3-14H,1-2H3;2*1-2H;;/q;;2*-1;2*+1
SMILES [Cu]n1cncn1.[Cu]n1cncn1.Fc1ccc(cc1)P(c1ccccc1N(C)C)c1ccc(cc1)F.Fc1ccc(cc1)P(c1ccccc1N(C)C)c1ccc(cc1)F
InChI Key AGBSROGYQKJYDM-UHFFFAOYSA-N
Molecular Formula C44H40Cu2F4N8P2
Exact Mass 945.875 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AGBSROGYQKJYDM-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/AGBSROGYQKJYDM-UHFFFAOYSA-N/CHMO0001146
Version
Author Xuemin Gan
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-04-09
Related Molecule
  • 2-bis(4-fluorophenyl)phosphanyl-N,N-dimethylaniline;copper(1+);2,4-diaza-1-azanidacyclopenta-2,4-diene
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    title : Apr10-2024

    date : 20240411

    starting time : 1.47 h

    label : VF-938

    id : 117138

    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
    172914206 pubchem
    The data in this table is sourced from UniChem at EBI.