Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

InChI	InChI=1S/C80H56N6/c81-57-63(58-82)80-78(61-45-53-74(54-46-61)85(68-33-17-5-18-34-68)69-35-19-6-20-36-69)76(59-41-49-72(50-42-59)83(64-25-9-1-10-26-64)65-27-11-2-12-28-65)77(60-43-51-73(52-44-60)84(66-29-13-3-14-30-66)67-31-15-4-16-32-67)79(80)62-47-55-75(56-48-62)86(70-37-21-7-22-38-70)71-39-23-8-24-40-71/h1-56H
SMILES	N#CC(=C1C(=C(C(=C1c1ccc(cc1)N(c1ccccc1)c1ccccc1)c1ccc(cc1)N(c1ccccc1)c1ccccc1)c1ccc(cc1)N(c1ccccc1)c1ccccc1)c1ccc(cc1)N(c1ccccc1)c1ccccc1)C#N
InChI Key	WAUBKCCHALFYOO-UHFFFAOYSA-N
Exact Mass	1101.341 g/mol

Data and Resources

• 1H--1H correlation spectroscopy (1H-1H COSY)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WAUBKCCHALFYOO-UHFFFAOYSA-N/CHMO0001150
License URL
Source	https://www.chemotion-repository.net/inchikey/WAUBKCCHALFYOO-UHFFFAOYSA-N/CHMO0001150
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-11-19
Related Molecule

Field	Value
Measurement Technique	1H–1H correlation spectroscopy
Measurement Variables	date : 2025-08-24 starting time : 12:27:26 UTC creator : Sylvia Vanderheiden-Schroen label : ComP-27876 id : 354237 Solvent : CDCl3 temperature : 297.984706579575 K PULPROG : cosygpppqf number of scans : 1 scans instrument : Avance NEO 400 Name : TopSpin

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