Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C36H28OP2.C12H8N3S.Cu/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-2-6-11-10(5-1)15-12(16-11)14-8-9-4-3-7-13-9;/h1-28H;1-8H;/q;-1;+1/b;14-8+;
SMILES c1ccc(cc1)P(c1ccccc1Oc1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1.[Cu]n1cccc1/C=N/c1nc2c(s1)cccc2
InChI Key XWYMULSFAJAODR-TXTNVABFSA-N
Molecular Formula C48H36CuN3OP2S
Exact Mass 828.377 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XWYMULSFAJAODR-TXTNVABFSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/XWYMULSFAJAODR-TXTNVABFSA-N/CHMO0000593
Version
Author Valentina Ferraro
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-04-17
Related Molecule
  • (E)-N-(1,3-benzothiazol-2-yl)-1-pyrrol-1-id-2-ylmethanimine;copper(1+);[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : Nov21-2023-braese

    date : 20231121

    starting time : 20.15 h

    label : VF-239

    id : 106443

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

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