Dataset

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

Chemical Information

InChI	InChI=1S/C18H12BrN/c19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-12H
SMILES	Brc1ccc(cc1)n1c2ccccc2c2c1cccc2
InChI Key	XSDKKRKTDZMKCH-UHFFFAOYSA-N
Exact Mass	322.199 g/mol

Data and Resources

• 1H--13C heteronuclear single quantum coherence...HTML
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• chmo0001146

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XSDKKRKTDZMKCH-UHFFFAOYSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/XSDKKRKTDZMKCH-UHFFFAOYSA-N/CHMO0001146
Version
Author	Laura Holzhauer
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-10-22
Related Molecule

Field	Value
Measurement Technique	CHMO:0001146
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL2425169	chembl
262160	surechembl
29400116	surechembl
22361390	pubchem
ROHXIY	CCDC
Molport-009-684-498	molport
The data in this table is sourced from UniChem at EBI.