Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C66H84Br2N4/c1-9-17-21-45(13-5)41-49-25-33-53(34-26-49)59-60(54-35-27-50(28-36-54)42-46(14-6)22-18-10-2)70-64-58(68)66-65(57(67)63(64)69-59)71-61(55-37-29-51(30-38-55)43-47(15-7)23-19-11-3)62(72-66)56-39-31-52(32-40-56)44-48(16-8)24-20-12-4/h25-40,45-48H,9-24,41-44H2,1-8H3
SMILES	CCCCC(Cc1ccc(cc1)c1nc2c(Br)c3nc(c4ccc(cc4)CC(CCCC)CC)c(nc3c(c2nc1c1ccc(cc1)CC(CCCC)CC)Br)c1ccc(cc1)CC(CCCC)CC)CC
InChI Key	UUQCEUMDGQDFCK-UHFFFAOYSA-N
Exact Mass	1093.208 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/UUQCEUMDGQDFCK-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/UUQCEUMDGQDFCK-UHFFFAOYSA-N/CHMO0000595
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-12-11
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
102198308	PubChem
J3.172.675A	Nikkaji
The data in this table is sourced from UniChem at EBI.