Dataset

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

Chemical Information

InChI	InChI=1S/C77H56N4O/c82-77-75(59-45-53-71(54-46-59)80(65-33-17-5-18-34-65)66-35-19-6-20-36-66)73(57-41-49-69(50-42-57)78(61-25-9-1-10-26-61)62-27-11-2-12-28-62)74(58-43-51-70(52-44-58)79(63-29-13-3-14-30-63)64-31-15-4-16-32-64)76(77)60-47-55-72(56-48-60)81(67-37-21-7-22-38-67)68-39-23-8-24-40-68/h1-56H
SMILES	O=C1C(=C(C(=C1c1ccc(cc1)N(c1ccccc1)c1ccccc1)c1ccc(cc1)N(c1ccccc1)c1ccccc1)c1ccc(cc1)N(c1ccccc1)c1ccccc1)c1ccc(cc1)N(c1ccccc1)c1ccccc1
InChI Key	XXFHPNBSMJVYMQ-UHFFFAOYSA-N
Exact Mass	1053.295 g/mol

Data and Resources

• 1H--1H correlation spectroscopy (1H-1H COSY)HTML
  Go to source

• 1h1h-correlation-sp...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XXFHPNBSMJVYMQ-UHFFFAOYSA-N/CHMO0001150
License URL
Source	https://www.chemotion-repository.net/inchikey/XXFHPNBSMJVYMQ-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 : 2025-08-23 starting time : 16:33:56 UTC creator : Sylvia Vanderheiden-Schroen label : ComP-27877 id : 354236 Solvent : CDCl3 temperature : 297.986802546519 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.