Dataset

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

Chemical Information

InChI	InChI=1S/C5Br6/c6-1-2(7)4(9)5(10,11)3(1)8
SMILES	BrC1=C(Br)C(C(=C1Br)Br)(Br)Br
InChI Key	NUYUCYZVFLZIPX-UHFFFAOYSA-N
Exact Mass	539.477 g/mol

Data and Resources

• 1H--1H correlation spectroscopy (1H-1H COSY)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NUYUCYZVFLZIPX-UHFFFAOYSA-N/CHMO0001150.1
License URL
Source	https://www.chemotion-repository.net/inchikey/NUYUCYZVFLZIPX-UHFFFAOYSA-N/CHMO0001150.1
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-11-19
Related Molecule

Field	Value
Measurement Technique	1H–1H correlation spectroscopy
Measurement Variables	date : 2025-10-31 starting time : 11:17:01 UTC creator : Sylvia Vanderheiden-Schroen label : ComP-27001 id : 355546 Solvent : CDCl3 temperature : 297.997851286551 K PULPROG : zg30 number of scans : 16 scans instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
2319697	surechembl
281293	pubchem
LUTGEP	CCDC
76828	nmrshiftdb2
Molport-051-523-683	molport
The data in this table is sourced from UniChem at EBI.