Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C45H29N4O.Ni/c50-28-32-18-10-11-19-33(32)45-40-26-24-38(48-40)43(30-14-6-2-7-15-30)36-22-20-34(46-36)42(29-12-4-1-5-13-29)35-21-23-37(47-35)44(31-16-8-3-9-17-31)39-25-27-41(45)49-39;/h1-28H,(H-,46,47,48,49,50);/q-1;+2/p-1/b42-34-,42-35-,43-36-,43-38-,44-37-,44-39-,45-40-,45-41-;
SMILES	O=Cc1ccccc1/C/1=C/2\C=CC(=N2)/C(=c/2\n3[Ni]n4c1ccc4/C(=C\1/C=CC(=N1)/C(=c\3/cc2)/c1ccccc1)/c1ccccc1)/c1ccccc1
InChI Key	PNJCQSRZVFLATK-RORYYHOOSA-M
Molecular Formula	C45H29N4NiO+
Exact Mass	699.423 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/PNJCQSRZVFLATK-RORYYHOOSA-M/CHMO0000470.1
License URL
Source	https://www.chemotion-repository.net/inchikey/PNJCQSRZVFLATK-RORYYHOOSA-M/CHMO0000470.1
Version
Author	Christoph Schissler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:00:09.648178
MetadataModified	2024-09-07T17:44:29.200827
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.