Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C8H4BrIO4/c9-3-1-4(7(11)12)6(10)5(2-3)8(13)14/h1-2H,(H,11,12)(H,13,14)
SMILES	Brc1cc(C(=O)O)c(c(c1)C(=O)O)I
InChI Key	AXKNIHOOTXODNH-UHFFFAOYSA-N
Exact Mass	370.923 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/AXKNIHOOTXODNH-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/AXKNIHOOTXODNH-UHFFFAOYSA-N/CHMO0000595
Version
Author	Janine Haug
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-09-16
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Title : Apr19-2023-braese Date : 20230419 Start time : 18.19 h Label : JAH-44 ID : 101717 Solvent : CD3CN Temperature : 298.0 K K Puls programme : zgpg30 Number of scans : 1024 Instrument : spect

Data-Source Molecule ID	Data-Source
23880567	surechembl
121229103	pubchem
Molport-047-970-160	molport
The data in this table is sourced from UniChem at EBI.