Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C60H42N4.Zn/c1-4-10-44(11-5-1)57-49-30-32-51(61-49)58(45-12-6-2-7-13-45)53-34-36-55(63-53)60(56-37-35-54(64-56)59(46-14-8-3-9-15-46)52-33-31-50(57)62-52)47-28-26-43(27-29-47)48-38-41-21-20-39-16-18-40(19-17-39)22-24-42(48)25-23-41;/h1-19,23,25-38H,20-22,24H2;/q-2;+2/b57-49-,57-50-,58-51-,58-53-,59-52-,59-54-,60-55-,60-56-;
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)c1cc2CCc3ccc(CCc1cc2)cc3)/c1ccccc1
InChI Key	VTOQYSGXCLAIIC-JRMDJUBSSA-N
Molecular Formula	C60H42N4Zn
Exact Mass	884.382 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/VTOQYSGXCLAIIC-JRMDJUBSSA-N/Mass.1
License URL
Source	https://www.chemotion-repository.net/inchikey/VTOQYSGXCLAIIC-JRMDJUBSSA-N/Mass.1
Version
Author	Thomas Wiesner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:08:25.352018
MetadataModified	2024-09-07T15:10:01.566788
MetadataPublished	2019-06-15

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

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