Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

InChI	InChI=1S/C41H28BrNO4/c1-46-39(44)32-22-25(42)23-33(40(45)47-2)38(32)43(26-12-4-3-5-13-26)27-20-21-31-30-16-8-11-19-36(30)41(37(31)24-27)34-17-9-6-14-28(34)29-15-7-10-18-35(29)41/h3-24H,1-2H3
SMILES	COC(=O)c1cc(Br)cc(c1N(c1ccc2-c3c(C4(c2c1)c1ccccc1-c1c4cccc1)cccc3)c1ccccc1)C(=O)OC
InChI Key	IEXAYDBQJKYWPJ-UHFFFAOYSA-N
Exact Mass	678.569 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/IEXAYDBQJKYWPJ-UHFFFAOYSA-N/CHMO0000593.2
License URL
Source	https://www.chemotion-repository.net/inchikey/IEXAYDBQJKYWPJ-UHFFFAOYSA-N/CHMO0000593.2
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 : Mar06-2024 date : 20240306 starting time : 14.21 h label : JAH-320 id : 118307 Solvent : DMSO temperature : 298.0 K PULPROG : zg30 number of scans : 16 scans instrument : Avance NEO

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