Dataset

1H--13C heteronuclear multiple quantum coherence (13C-1H HMQC)

Chemical Information

InChI	InChI=1S/C20H10BrNO2/c21-11-9-14-18-15(10-11)20(24)13-6-2-4-8-17(13)22(18)16-7-3-1-5-12(16)19(14)23/h1-10H
SMILES	Brc1cc2c3c(c1)c(=O)c1c(n3c3c(c2=O)cccc3)cccc1
InChI Key	SJBDNBQXLGZTCB-UHFFFAOYSA-N
Exact Mass	376.203 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/SJBDNBQXLGZTCB-UHFFFAOYSA-N/CHMO0002399
License URL
Source	https://www.chemotion-repository.net/inchikey/SJBDNBQXLGZTCB-UHFFFAOYSA-N/CHMO0002399
Version
Author	Janine Haug
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-09-16
Related Molecule

Field	Value
Measurement Technique	1H–13C heteronuclear multiple quantum coherence
Measurement Variables	title : Mar21-2024-braese date : 20240321 starting time : 18.04 h label : JAH-388 id : 118434 Solvent : chloroform-D1 (CDCl3) temperature : 298.0 K PULPROG : hmbcgplpndqf number of scans : 4 scans instrument : spect

Data-Source Molecule ID	Data-Source
146853124	PubChem
The data in this table is sourced from UniChem at EBI.