Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C19H18NP.2C18H12F3P.2Cu.2HI/c1-15-6-10-17(11-7-15)21(19-5-3-4-14-20-19)18-12-8-16(2)9-13-18;2*19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;;;;/h3-14H,1-2H3;2*1-12H;;;2*1H/q;;;2*+1;;/p-2
SMILES Cc1ccc(cc1)P(c1ccccn1)c1ccc(cc1)C.Fc1ccc(cc1)P(c1ccc(cc1)F)c1ccc(cc1)F.Fc1ccc(cc1)P(c1ccc(cc1)F)c1ccc(cc1)F.[Cu]I.[Cu]I
InChI Key WKBJJVSVQXIATD-UHFFFAOYSA-L
Molecular Formula C55H42Cu2F6I2NP3
Exact Mass 1304.741 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WKBJJVSVQXIATD-UHFFFAOYSA-L/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/WKBJJVSVQXIATD-UHFFFAOYSA-L/CHMO0000630
Version
Author Olaf Fuhr
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-10-29
Related Molecule
  • bis(4-methylphenyl)-pyridin-2-ylphosphane;iodocopper;tris(4-fluorophenyl)phosphane
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    154733615 PubChem
    The data in this table is sourced from UniChem at EBI.