Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C88H54N8.2Ni/c1-8-24-55(25-9-1)80-65-41-44-69(90-65)83(58-30-14-4-15-31-58)73-49-52-77(94-73)87(78-53-50-74(95-78)84(59-32-16-5-17-33-59)70-45-42-66(80)91-70)63-39-23-22-38-62(63)64-54-79-85(60-34-18-6-19-35-60)75-47-46-71(92-75)81(56-26-10-2-11-27-56)67-40-43-68(89-67)82(57-28-12-3-13-29-57)72-48-51-76(93-72)86(88(64)96-79)61-36-20-7-21-37-61;;/h1-54H;;/q-4;2*+2/b80-65-,80-66-,81-67-,81-71-,82-68-,82-72-,83-69-,83-73-,84-70-,84-74-,85-75-,85-79-,86-76-,87-77-,87-78-,88-86-;;
SMILES	c1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c/2\n3[Ni]n4c1cc(c4/C(=C\1/C=CC(=N1)/C(=c\3/cc2)/c1ccccc1)/c1ccccc1)c1ccccc1/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)\c1ccccc1)/c1ccccc1
InChI Key	AIOYFZDBUIGAAQ-OLRUKZAISA-N
Molecular Formula	C88H54N8Ni2
Exact Mass	1340.811 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/AIOYFZDBUIGAAQ-OLRUKZAISA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/AIOYFZDBUIGAAQ-OLRUKZAISA-N/CHMO0000470
Version
Author	Christoph Schissler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:03:11.021531
MetadataModified	2024-09-07T17:48:43.849743
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.