Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

InChI	InChI=1S/C22H18BrNO4/c1-27-21(25)18-13-15(23)14-19(22(26)28-2)20(18)24(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14H,1-2H3
SMILES	COC(=O)c1cc(Br)cc(c1N(c1ccccc1)c1ccccc1)C(=O)OC
InChI Key	GOTFTQVRCXURLK-UHFFFAOYSA-N
Exact Mass	440.287 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/GOTFTQVRCXURLK-UHFFFAOYSA-N/CHMO0000593.2
License URL
Source	https://www.chemotion-repository.net/inchikey/GOTFTQVRCXURLK-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 : Mar12-2024 date : 20240312 starting time : 16.46 h label : JAH-316 id : 118303 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.