Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C82H52N8.Ni/c1-7-21-51(22-8-1)75-59-35-39-63(83-59)77(53-25-11-3-12-26-53)67-43-47-71(87-67)81(72-48-44-68(88-72)78(54-27-13-4-14-28-54)64-40-36-60(75)84-64)57-33-19-20-34-58(57)82-73-49-45-69(89-73)79(55-29-15-5-16-30-55)65-41-37-61(85-65)76(52-23-9-2-10-24-52)62-38-42-66(86-62)80(56-31-17-6-18-32-56)70-46-50-74(82)90-70;/h1-50,83,88H;/q-2;+2/b75-59-,75-60-,76-61-,76-62-,77-63-,77-67-,78-64-,78-68-,79-65-,79-69-,80-66-,80-70-,81-71-,81-72-,82-73-,82-74-;
SMILES	c1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/C3=N/C(=C(\c4[nH]c1cc4)/c1ccccc1/C/1=c/4\cc/c/5=C(/C6=N/C(=C(\c7n([Ni]n45)c(/C(=C/4\N=C1C=C4)/c1ccccc1)cc7)/c1ccccc1)/C=C6)\c1ccccc1)/C=C3)\c1ccccc1)/[nH]2)/c1ccccc1
InChI Key	QYFQNSKAHGLVQL-XRTKQMIRSA-N
Molecular Formula	C82H52N8Ni
Exact Mass	1208.037 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QYFQNSKAHGLVQL-XRTKQMIRSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/QYFQNSKAHGLVQL-XRTKQMIRSA-N/CHMO0000470
Version
Author	Christoph Schissler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:01:13.067657
MetadataModified	2024-09-07T17:46:05.501316
MetadataPublished	2020-04-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

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