Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C44H27BrN4.Cu/c45-32-18-16-31(17-19-32)44-39-26-24-37(48-39)42(29-12-6-2-7-13-29)35-22-20-33(46-35)41(28-10-4-1-5-11-28)34-21-23-36(47-34)43(30-14-8-3-9-15-30)38-25-27-40(44)49-38;/h1-27H;/q-2;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;
SMILES	Brc1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c/2\n3[Cu]n4c1ccc4/C(=C\1/C=CC(=N1)/C(=c\3/cc2)/c1ccccc1)/c1ccccc1)/c1ccccc1
InChI Key	UKPDOEPTPHHMKQ-DAJBKUBHSA-N
Molecular Formula	C44H27BrCuN4
Exact Mass	755.162 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/UKPDOEPTPHHMKQ-DAJBKUBHSA-N/Mass.1
License URL
Source	https://www.chemotion-repository.net/inchikey/UKPDOEPTPHHMKQ-DAJBKUBHSA-N/Mass.1
Version
Author	Thomas Wiesner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:50:59.699546
MetadataModified	2024-09-07T16:12:29.570466
MetadataPublished	2019-11-14

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

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