Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C30H43N5.C2H3N.Cu.F6P/c1-19-12-14-23(29(3,4)5)26-21(19)17-34(32-26)28(25-11-9-10-16-31-25)35-18-22-20(2)13-15-24(27(22)33-35)30(6,7)8;1-2-3;;1-7(2,3,4,5)6/h9-11,16-20,23-24,28H,12-15H2,1-8H3;1H3;;/q;;+1;-1/t19-,20-,23-,24-;;;/m1.../s1
SMILES	F[P-](F)(F)(F)(F)F.C[C@@H]1CC[C@H](c2c1cn(n2)C(n1cc2c(n1)[C@@H](CC[C@H]2C)C(C)(C)C)c1ccccn1)C(C)(C)C.CC#N.[Cu+]
InChI Key	IOWUBGJSYWBQTK-SPFGKSOKSA-N
Molecular Formula	C32H46CuF6N6P
Exact Mass	723.258 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/IOWUBGJSYWBQTK-SPFGKSOKSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/IOWUBGJSYWBQTK-SPFGKSOKSA-N/CHMO0000597
Version
Author	Sonja Herres-Pawlis
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:11:40.627772
MetadataModified	2024-09-07T20:36:28.721534
MetadataPublished	2021-10-16

Field	Value
Measurement Technique	19F nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
156619346	PubChem
The data in this table is sourced from UniChem at EBI.