Dataset

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

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--13C heteronuclear single quantum coherence...HTML
  Go to source

• chmo0001146

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/RJOYWTPJYZNRJD-UHFFFAOYSA-N/CHMO0001146.2
License URL
Source	https://www.chemotion-repository.net/inchikey/RJOYWTPJYZNRJD-UHFFFAOYSA-N/CHMO0001146.2
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-10-25
Related Molecule

Field	Value
Measurement Technique	CHMO:0001146
Measurement Variables	date : 2025-07-27 starting time : 09:44:39 UTC creator : Adrian Daniel Hund label : ADH-14 id : 370270 Solvent : CDCl3 temperature : 298.0184 K PULPROG : hsqcedetgpsisp2.3 number of scans : 4 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.