Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

InChI	InChI=1S/C16H15Br/c17-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9H2
SMILES	Brc1cc2CCc3ccc(CCc1cc2)cc3
InChI Key	RJOYWTPJYZNRJD-UHFFFAOYSA-N
Molecular Formula	C16H15Br
Exact Mass	287.194 g/mol

Data and Resources

• 1H--1H correlation spectroscopy (1H-1H COSY)HTML
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• chmo0001150

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/RJOYWTPJYZNRJD-UHFFFAOYSA-N/CHMO0001150.1
License URL
Source	https://www.chemotion-repository.net/inchikey/RJOYWTPJYZNRJD-UHFFFAOYSA-N/CHMO0001150.1
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-10-25
Related Molecule

Field	Value
Measurement Technique	CHMO:0001150
Measurement Variables	date : 2025-10-12 starting time : 14:57:07 UTC creator : Adrian Daniel Hund label : ADH-14 id : 370270 Solvent : CDCl3 temperature : 298.0011 K PULPROG : cosygpppqf number of scans : 1 scans instrument : Avance NEO Name : TopSpin

Data-Source Molecule ID	Data-Source
SCHEMBL2262585	SureChEMBL
DTXSID20453170	EPA CompTox Dashboard
J638.003D	Nikkaji
ZINC000003123046	ZINC
CB9463013	ChemicalBook
1105307	eMolecules
16109816	PubChem: Thomson Pharma
11044379	PubChem
The data in this table is sourced from UniChem at EBI.