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/2C18H15P.C6H4N2Se.ClHO4.Cu/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5(3-1)7-9-8-6;2-1(3,4)5;/h2*1-15H;1-4H;(H,2,3,4,5);/q;;;;+1/p-1
SMILES c1ccc2c(c1)n[se]n2.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[O-][Cl](=O)(=O)=O.[Cu+]
InChI Key ZVVVMNPCOQCMKO-UHFFFAOYSA-M
Molecular Formula C42H34ClCuN2O4P2Se
Exact Mass 870.637 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZVVVMNPCOQCMKO-UHFFFAOYSA-M/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/ZVVVMNPCOQCMKO-UHFFFAOYSA-M/CHMO0001146
Version
Author Valentina Ferraro
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-23
Related Molecule
  • 2,1,3-benzoselenadiazole;copper(1+);triphenylphosphane;perchlorate
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    title : Mar05-2024-braese

    date : 20240305

    starting time : 13.26 h

    label : VF-764

    id : 113164

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : hsqcedetgpsisp2.3

    number of scans : 8 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.