Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

InChI	InChI=1S/C15H13BrN2O2/c1-20-12-4-2-10(3-5-12)8-18-9-14-13(15(18)19)6-11(16)7-17-14/h2-7H,8-9H2,1H3
SMILES	COc1ccc(cc1)CN1Cc2c(C1=O)cc(cn2)Br
InChI Key	AGHHLYDSSHCOMC-UHFFFAOYSA-N
Exact Mass	333.180 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/AGHHLYDSSHCOMC-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/AGHHLYDSSHCOMC-UHFFFAOYSA-N/CHMO0000593
Version
Author	Philip Freund
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2026-04-21
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	Date : 2025-06-24 Starting time : 08:12:33 UTC Creator : Philip Freund label : PFR-194 id : 154132 Solvent used for referencing : CDCl3 temperature : 300.6068 K PULPROG : zg30 number of scans : 16 scans instrument : spect Name : Parameter file, TOPSPIN Version 3.2 Version : Parameter file, TOPSPIN Version 3.2

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