Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

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

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/ZXFVPDKZHCLOHM-UHFFFAOYSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/ZXFVPDKZHCLOHM-UHFFFAOYSA-N/CHMO0000597
Version
Author	Sonja Herres-Pawlis
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:26:59.136231
MetadataModified	2024-09-07T16:59:16.275926
MetadataPublished	2020-02-27

Field	Value
Measurement Technique	19F 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.