Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

InChI	InChI=1S/C14H9BrO2/c15-12-8-6-11(7-9-12)14(17)13(16)10-4-2-1-3-5-10/h1-9H
SMILES	Brc1ccc(cc1)C(=O)C(=O)c1ccccc1
InChI Key	REKFALFAMJBFCR-UHFFFAOYSA-N
Exact Mass	289.124 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/REKFALFAMJBFCR-UHFFFAOYSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/REKFALFAMJBFCR-UHFFFAOYSA-N/CHMO0001146
Version
Author	Sarah Wulff
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2026-02-03
Related Molecule

Field	Value
Measurement Technique	1H–13C heteronuclear single quantum coherence
Measurement Variables	title : Jul23-2024 date : 20240724 starting time : 6.08 h label : SAW-63 id : 315443 Solvent : chloroform-D1 (CDCl3) temperature : 298.0 K PULPROG : hsqcedetgpsisp2.3 number of scans : 4 scans instrument : Avance NEO

Data-Source Molecule ID	Data-Source
649996	surechembl
236701	pubchem
Molport-029-392-493	molport
The data in this table is sourced from UniChem at EBI.