Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Information

molecular Image
InChI InChI=1S/2C28H35N5.2Cu.2F6P/c2*1-25(2)19-10-12-27(25,5)22-17(19)15-32(30-22)24(21-9-7-8-14-29-21)33-16-18-20-11-13-28(6,23(18)31-33)26(20,3)4;;;2*1-7(2,3,4,5)6/h2*7-9,14-16,19-20,24H,10-13H2,1-6H3;;;;/q;;2*+1;2*-1/t2*19-,20-,27+,28+;;;;/m11..../s1
SMILES F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.CC1(C)[C@@H]2CC[C@@]1(C)c1c2cn(n1)C(n1cc2c(n1)[C@]1(C([C@@H]2CC1)(C)C)C)c1ccccn1.CC1(C)[C@@H]2CC[C@@]1(C)c1c2cn(n1)C(n1cc2c(n1)[C@]1(C([C@@H]2CC1)(C)C)C)c1ccccn1.[Cu+][Cu+]
InChI Key FHXONRJROWMHDX-QUJLYIJBSA-N
Molecular Formula C56H70Cu2F12N10P2
Exact Mass 1300.242 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FHXONRJROWMHDX-QUJLYIJBSA-N/CHMO0000597
License URL
Source https://www.chemotion-repository.net/inchikey/FHXONRJROWMHDX-QUJLYIJBSA-N/CHMO0000597
Version
Author Sonja Herres-Pawlis
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-10-16
Related Molecule
  • copper(1+);(1R,7S)-1,10,10-trimethyl-4-[pyridin-2-yl-[(1R,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]methyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene;dihexafluorophosphate
    • Field Value
    Measurement Technique 19F nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    156619350 PubChem
    The data in this table is sourced from UniChem at EBI.