Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

Chemical Information

molecular Image
InChI InChI=1S/4C17H14NP.2CNS.2Cu/c4*1-3-8-15(9-4-1)19(16-10-5-2-6-11-16)17-12-7-13-18-14-17;2*2-1-3;;/h4*1-14H;;;;/q;;;;2*-1;2*+1
SMILES c1ccc(cc1)P(c1cccnc1)c1ccccc1.c1ccc(cc1)P(c1cccnc1)c1ccccc1.c1ccc(cc1)P(c1cccnc1)c1ccccc1.c1ccc(cc1)P(c1cccnc1)c1ccccc1.[Cu]N=C=S.[Cu]N=C=S
InChI Key PRRWRQFRATVSFB-UHFFFAOYSA-N
Exact Mass 1296.351 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PRRWRQFRATVSFB-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/PRRWRQFRATVSFB-UHFFFAOYSA-N/CHMO0001148
Version
Author Clara Adam
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-03-18
Related Molecule
  • nfdi4chem-mol8143 (Unknown Molecule)
    • Field Value
    Measurement Technique 1H–13C heteronuclear multiple bond coherence
    Measurement Variables
    title : Mar01-2023-braese

    date : 20230302

    starting time : 0.09 h

    label : CRA-61

    id : 104727

    Solvent : DMSO

    temperature : 298.0 K

    PULPROG : hmbcgplpndqf

    number of scans : 4 scans

    instrument : spect

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