Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

Chemical Information

InChI	InChI=1S/C42H36N4P2.2C2F6NO4S2.Au.Tl/c1-5-20-37(21-6-1)47(38-22-7-2-8-23-38)41-28-15-18-35(44-41)32-46(31-34-17-13-14-30-43-34)33-36-19-16-29-42(45-36)48(39-24-9-3-10-25-39)40-26-11-4-12-27-40;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;;/h1-30H,31-33H2;;;;/q;2*-1;2*+1
SMILES	c1ccc(nc1)CN(Cc1cccc(n1)P(c1ccccc1)c1ccccc1)Cc1cccc(n1)P(c1ccccc1)c1ccccc1.FC(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(F)F.FC(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(F)F.[Au+].[Tl+]
InChI Key	ONUDNHXWPVCZPA-UHFFFAOYSA-N
Exact Mass	1620.352 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ONUDNHXWPVCZPA-UHFFFAOYSA-N/CHMO0001148
License URL
Source	https://www.chemotion-repository.net/inchikey/ONUDNHXWPVCZPA-UHFFFAOYSA-N/CHMO0001148
Version
Author	Michael E. Tauchert
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2026-01-15
Related Molecule

Field	Value
Measurement Technique	1H–13C heteronuclear multiple bond coherence
Measurement Variables	Date : 2025-11-18 Starting time : 22:09:23 UTC Creator : Alexander Eltester label : MAE-425 id : 131329 Solvent used for referencing : CD2Cl2 temperature : 298.3825 K PULPROG : hmbcgplpndqf number of scans : 16 scans instrument : spect Name : TopSpin Version : 3.5 pl 7

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.