Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C36H26ClN5.C2H3N.Cu.F6P/c37-30-21-22-38-33(23-30)36(41-34(28-17-9-3-10-18-28)24-31(39-41)26-13-5-1-6-14-26)42-35(29-19-11-4-12-20-29)25-32(40-42)27-15-7-2-8-16-27;1-2-3;;1-7(2,3,4,5)6/h1-25,36H;1H3;;/q;;+1;-1
SMILES F[P-](F)(F)(F)(F)F.Clc1ccnc(c1)C(n1nc(cc1c1ccccc1)c1ccccc1)n1nc(cc1c1ccccc1)c1ccccc1.CC#N.[Cu+]
InChI Key ZXFVPDKZHCLOHM-UHFFFAOYSA-N
Molecular Formula C38H29ClCuF6N6P
Exact Mass 813.640 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZXFVPDKZHCLOHM-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/ZXFVPDKZHCLOHM-UHFFFAOYSA-N/CHMO0000593
Version
Author Sonja Herres-Pawlis
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-27
Related Molecule
  • acetonitrile;2-[bis(3,5-diphenylpyrazol-1-yl)methyl]-4-chloropyridine;copper(1+);hexafluorophosphate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145944166 PubChem
    The data in this table is sourced from UniChem at EBI.