Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

InChI	InChI=1S/C10H8BrIO4/c1-15-9(13)6-3-5(11)4-7(8(6)12)10(14)16-2/h3-4H,1-2H3
SMILES	COC(=O)c1cc(Br)cc(c1I)C(=O)OC
InChI Key	ZDTIMZRONIOKRH-UHFFFAOYSA-N
Exact Mass	398.977 g/mol

Data and Resources

• 1H nuclear magnetic resonance spectroscopy (1H NMR)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZDTIMZRONIOKRH-UHFFFAOYSA-N/CHMO0000593.2
License URL
Source	https://www.chemotion-repository.net/inchikey/ZDTIMZRONIOKRH-UHFFFAOYSA-N/CHMO0000593.2
Version
Author	Janine Haug
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-09-16
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	title : Feb27-2024 date : 20240227 starting time : 14.52 h label : JAH-309 id : 118296 Solvent : chloroform-D1 (CDCl3) temperature : 298.0 K PULPROG : zg30 number of scans : 16 scans instrument : Avance NEO

Data-Source Molecule ID	Data-Source
121229104	PubChem
The data in this table is sourced from UniChem at EBI.