Dataset

elemental analysis (EA)

Chemical Info

InChI	InChI=1S/C12H9Br3O6/c1-19-10(16)4-7(13)5(11(17)20-2)9(15)6(8(4)14)12(18)21-3/h1-3H3
SMILES	COC(=O)c1c(Br)c(C(=O)OC)c(c(c1Br)C(=O)OC)Br
InChI Key	BDZRYAKTXQRGMS-UHFFFAOYSA-N
Molecular Formula	C12H9Br3O6
Exact Mass	488.908 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BDZRYAKTXQRGMS-UHFFFAOYSA-N/CHMO0001075
License URL
Source	https://www.chemotion-repository.net/inchikey/BDZRYAKTXQRGMS-UHFFFAOYSA-N/CHMO0001075
Version
Author	Lisa Schmidt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:46:58.694285
MetadataModified	2024-09-07T22:20:36.866488
MetadataPublished	2022-06-23

Field	Value
Measurement Technique	elemental analysis
Measurement Variables

Data-Source Molecule ID	Data-Source
85852844	PubChem
J1.927.393H	Nikkaji
The data in this table is sourced from UniChem at EBI.