Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

InChI	InChI=1S/C39H21NO2/c41-37-25-13-4-8-19-34(25)40-35-21-33-28(20-29(35)38(42)27-15-9-14-26(37)36(27)40)24-12-3-7-18-32(24)39(33)30-16-5-1-10-22(30)23-11-2-6-17-31(23)39/h1-21H
SMILES	O=c1c2cc3-c4ccccc4C4(c3cc2n2c3c1cccc3c(=O)c1c2cccc1)c1ccccc1-c1c4cccc1
InChI Key	FXBSVQLXPFJQAD-UHFFFAOYSA-N
Exact Mass	535.590 g/mol

Data and Resources

• 1H nuclear magnetic resonance spectroscopy (1H NMR)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/FXBSVQLXPFJQAD-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/FXBSVQLXPFJQAD-UHFFFAOYSA-N/CHMO0000593
Version
Author	Janine Haug
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-09-16
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	title : J_Haug20230609 date : 20230609 starting time : 11.47 h label : JAH-189 id : 104133 Solvent : THF temperature : 293.3 K PULPROG : zg30 number of scans : 8 scans instrument : spect_600_KTI

Data-Source Molecule ID	Data-Source
176528096	pubchem
The data in this table is sourced from UniChem at EBI.