Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C104H68N8.2Zn/c1-7-19-71(20-8-1)97-81-47-51-85(105-81)99(73-23-11-3-12-24-73)89-55-59-93(109-89)103(94-60-56-90(110-94)100(74-25-13-4-14-26-74)86-52-48-82(97)106-86)77-43-39-69(40-44-77)79-63-65-31-35-67(79)37-33-66-32-36-68(38-34-65)80(64-66)70-41-45-78(46-42-70)104-95-61-57-91(111-95)101(75-27-15-5-16-28-75)87-53-49-83(107-87)98(72-21-9-2-10-22-72)84-50-54-88(108-84)102(76-29-17-6-18-30-76)92-58-62-96(104)112-92;;/h1-32,35-36,39-64H,33-34,37-38H2;;/q-4;2*+2/b97-81-,97-82-,98-83-,98-84-,99-85-,99-89-,100-86-,100-90-,101-87-,101-91-,102-88-,102-92-,103-93-,103-94-,104-95-,104-96-;;
SMILES	c1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c/2\n3[Zn]n4c1ccc4/C(=C\1/C=CC(=N1)/C(=c\3/cc2)/c1ccccc1)/c1ccc(cc1)c1cc2ccc1CCc1ccc(CC2)c(c1)c1ccc(cc1)/C/1=c/2\cc/c/3=C(/C4=N/C(=C(\c5n([Zn]n23)c(/C(=C/2\N=C1C=C2)/c1ccccc1)cc5)/c1ccccc1)/C=C4)\c1ccccc1)/c1ccccc1
InChI Key	MLOTWJWIBHBDDT-QGWCMNADSA-N
Molecular Formula	C104H68N8Zn2
Exact Mass	1560.466 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MLOTWJWIBHBDDT-QGWCMNADSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/MLOTWJWIBHBDDT-QGWCMNADSA-N/Mass
Version
Author	Patrick Weis
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:50:33.730233
MetadataModified	2024-09-07T16:11:40.569606
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.