Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/4C17H14NP.2Cu.2HI/c4*1-3-8-15(9-4-1)19(16-10-5-2-6-11-16)17-12-7-13-18-14-17;;;;/h4*1-14H;;;2*1H/q;;;;2*+1;;/p-2
SMILES c1ccc(cc1)P(c1cccnc1)c1ccccc1.c1ccc(cc1)P(c1cccnc1)c1ccccc1.c1ccc(cc1)P(c1cccnc1)c1ccccc1.c1ccc(cc1)P(c1cccnc1)c1ccccc1.[Cu]I.[Cu]I
InChI Key MSWWFXVWFILBNM-UHFFFAOYSA-L
Exact Mass 1433.995 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MSWWFXVWFILBNM-UHFFFAOYSA-L/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/MSWWFXVWFILBNM-UHFFFAOYSA-L/CHMO0000595
Version
Author Martin Nieger
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-03-18
Related Molecule
  • nfdi4chem-mol1019 (Unknown Molecule)
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Date : 2025-09-17

    Start time : 17:39:47 UTC

    Creator : Chemotion Initiative

    Label : CRA-32

    ID : 103040

    Solvent : CD2Cl2

    Temperature : 298.001 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : spect

    Name : TopSpin

    Version : 3.7.0

    Data-Source Molecule ID Data-Source
    177930836 pubchem
    The data in this table is sourced from UniChem at EBI.