Dataset

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

Chemical Information

InChI	InChI=1S/C15H13BrN2O2/c1-20-11-4-2-10(3-5-11)8-18-9-13-12(15(18)19)6-7-14(16)17-13/h2-7H,8-9H2,1H3
SMILES	COc1ccc(cc1)CN1Cc2c(C1=O)ccc(n2)Br
InChI Key	CHPLTVNILGYECA-UHFFFAOYSA-N
Exact Mass	333.180 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CHPLTVNILGYECA-UHFFFAOYSA-N/CHMO0000485
License URL
Source	https://www.chemotion-repository.net/inchikey/CHPLTVNILGYECA-UHFFFAOYSA-N/CHMO0000485
Version
Author	Thorsten Bach
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2026-04-21
Related Molecule

Field	Value
Measurement Technique	high-resolution electrospray ionisation mass spectrometry
Measurement Variables

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