Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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• chmo0000595

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/RJOYWTPJYZNRJD-UHFFFAOYSA-N/CHMO0000595.5
License URL
Source	https://www.chemotion-repository.net/inchikey/RJOYWTPJYZNRJD-UHFFFAOYSA-N/CHMO0000595.5
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-10-25
Related Molecule

Field	Value
Measurement Technique	CHMO:0000595
Measurement Variables	Date : 2025-07-27 Start time : 09:13:41 UTC Creator : Adrian Daniel Hund Label : ADH-14 ID : 370270 Solvent : CDCl3 Temperature : 297.9993 K K Puls programme : zgpg30 Number of scans : 1024 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.