Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

Chemical Information

InChI	InChI=1S/C44H27N5/c1-7-17-38-30(11-1)31-12-2-8-18-39(31)47(38)28-21-23-42-34(25-28)35-26-29(48-40-19-9-3-13-32(40)33-14-4-10-20-41(33)48)22-24-43(35)49(42)44-27-45-36-15-5-6-16-37(36)46-44/h1-27H
SMILES	c1ccc2c(c1)nc(cn2)n1c2ccc(cc2c2c1ccc(c2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2
InChI Key	HQFHLRUTDRTJRR-UHFFFAOYSA-N
Exact Mass	625.719 g/mol

Data and Resources

• 1H--13C heteronuclear multiple bond coherence...HTML
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• chmo0001148

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HQFHLRUTDRTJRR-UHFFFAOYSA-N/CHMO0001148
License URL
Source	https://www.chemotion-repository.net/inchikey/HQFHLRUTDRTJRR-UHFFFAOYSA-N/CHMO0001148
Version
Author	Laura Holzhauer
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-10-22
Related Molecule

Field	Value
Measurement Technique	CHMO:0001148
Measurement Variables

Data-Source Molecule ID	Data-Source
89890734	PubChem
SCHEMBL15371683	SureChEMBL
The data in this table is sourced from UniChem at EBI.