Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C82H50N8.2ClH.2Mn/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;;;;/h1-50H;2*1H;;/q-4;;;2*+3/p-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	Cl[Mn]1n2/c/3=C(\C4=N/C(=C(\c5n1c(cc5)/C(=C/1\N=C(/C(=c\2/cc3)/c2ccccc2/C/2=C/3\C=CC(=N3)/C(=c/3\n5[Mn](n6c2ccc6/C(=C\2/C=CC(=N2)/C(=c\5/cc3)/c2ccccc2)/c2ccccc2)Cl)/c2ccccc2)C=C1)/c1ccccc1)/c1ccccc1)/C=C4)/c1ccccc1
InChI Key	WGEQYAUFPWFRFW-PBDMMGFFSA-L
Molecular Formula	C82H50Cl2Mn2N8
Exact Mass	1328.110 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WGEQYAUFPWFRFW-PBDMMGFFSA-L/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/WGEQYAUFPWFRFW-PBDMMGFFSA-L/CHMO0000470
Version
Author	Christoph Schissler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:58:05.705301
MetadataModified	2024-09-07T17:41:42.396833
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.