Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C28H35N5.C2H3N.Cu.F6P/c1-25(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;1-2-3;;1-7(2,3,4,5)6/h7-9,14-16,19-20,24H,10-13H2,1-6H3;1H3;;/q;;+1;-1/t19-,20-,27+,28+;;;/m1.../s1
SMILES	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.CC#N.[Cu+]
InChI Key	FZZQSTGFSCTJEY-QGLSCBPMSA-N
Molecular Formula	C30H38CuF6N6P
Exact Mass	691.173 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/FZZQSTGFSCTJEY-QGLSCBPMSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/FZZQSTGFSCTJEY-QGLSCBPMSA-N/CHMO0000597
Version
Author	Sonja Herres-Pawlis
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:09:58.532455
MetadataModified	2024-09-07T20:34:15.488654
MetadataPublished	2021-09-23

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

Data-Source Molecule ID	Data-Source
156599676	PubChem
The data in this table is sourced from UniChem at EBI.