Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C24H20Br2O4/c1-29-23(27)17-7-9-21(19(11-17)13-25)15-3-5-16(6-4-15)22-10-8-18(24(28)30-2)12-20(22)14-26/h3-12H,13-14H2,1-2H3
SMILES	COC(=O)c1ccc(c(c1)CBr)c1ccc(cc1)c1ccc(cc1CBr)C(=O)OC
InChI Key	VPXMMGNSVHNFJC-UHFFFAOYSA-N
Molecular Formula	C24H20Br2O4
Exact Mass	532.221 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/VPXMMGNSVHNFJC-UHFFFAOYSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/VPXMMGNSVHNFJC-UHFFFAOYSA-N/CHMO0000498
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:32:51.838652
MetadataModified	2024-09-07T18:29:02.318543
MetadataPublished	2020-08-08

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
146681768	PubChem
The data in this table is sourced from UniChem at EBI.