Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C76H47N9.Ni.Zn/c1-7-19-47(20-8-1)69-53-31-35-57(77-53)71(49-23-11-3-12-24-49)61-39-43-65(81-61)75(66-44-40-62(82-66)72(50-25-13-4-14-26-50)58-36-32-54(69)78-58)85-76-67-45-41-63(83-67)73(51-27-15-5-16-28-51)59-37-33-55(79-59)70(48-21-9-2-10-22-48)56-34-38-60(80-56)74(52-29-17-6-18-30-52)64-42-46-68(76)84-64;;/h1-46,85H;;/q-4;2*+2/b69-53-,69-54-,70-55-,70-56-,71-57-,71-61-,72-58-,72-62-,73-59-,73-63-,74-60-,74-64-,75-65+,75-66+,76-67+,76-68+;;
SMILES	c1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c/2\n3[Ni]n4c1ccc4/C(=C\1/C=CC(=N1)/C(=c\3/cc2)/c1ccccc1)/N/C/1=C/2\C=CC(=N2)/C(=c/2\n3[Zn]n4c1ccc4/C(=C\1/C=CC(=N1)/C(=c\3/cc2)/c1ccccc1)/c1ccccc1)/c1ccccc1)/c1ccccc1
InChI Key	JVGPCXSCDWSVRU-HWNMUZRGSA-N
Molecular Formula	C76H47N9NiZn
Exact Mass	1210.320 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JVGPCXSCDWSVRU-HWNMUZRGSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/JVGPCXSCDWSVRU-HWNMUZRGSA-N/CHMO0000593
Version
Author	Christoph Schissler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:27:52.773211
MetadataModified	2024-09-07T20:57:22.346856
MetadataPublished	2022-01-07
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.