Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C53H36N6.Ni/c1-4-14-34(15-5-1)49-41-24-26-43(56-41)50(35-16-6-2-7-17-35)45-28-30-47(58-45)53(38-21-11-10-20-37(38)52(39-22-12-32-54-39)40-23-13-33-55-40)48-31-29-46(59-48)51(36-18-8-3-9-19-36)44-27-25-42(49)57-44;/h1-33,52,54-55H;/q-2;+2/b49-41-,49-42-,50-43-,50-45-,51-44-,51-46-,53-47-,53-48-;
SMILES	c1ccc(cc1)/C/1=c/2\cc/c/3=C(/C4=N/C(=C(\c5n([Ni]n23)c(/C(=C/2\N=C1C=C2)/c1ccccc1)cc5)/c1ccccc1)/C=C4)\c1ccccc1C(c1ccc[nH]1)c1ccc[nH]1
InChI Key	RADSWVOTYLGRBW-QURYMOASSA-N
Molecular Formula	C53H36N6Ni
Exact Mass	815.587 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/RADSWVOTYLGRBW-QURYMOASSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/RADSWVOTYLGRBW-QURYMOASSA-N/CHMO0000593
Version
Author	Christoph Schissler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T04:30:46.570578
MetadataModified	2024-09-07T19:44:03.020990
MetadataPublished	2021-05-14
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

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