Dataset

correlation spectroscopy (COSY)

Chemical Info

InChI	InChI=1S/C25H16Br4/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20/h1-16H
SMILES	Brc1ccc(cc1)C(c1ccc(cc1)Br)(c1ccc(cc1)Br)c1ccc(cc1)Br
InChI Key	YBGIIZGNEOJSRF-UHFFFAOYSA-N
Molecular Formula	C25H16Br4
Exact Mass	636.011 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YBGIIZGNEOJSRF-UHFFFAOYSA-N/CHMO0000599
License URL
Source	https://www.chemotion-repository.net/inchikey/YBGIIZGNEOJSRF-UHFFFAOYSA-N/CHMO0000599
Version
Author	Lisa Schmidt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:27:55.410235
MetadataModified	2024-09-08T01:27:55.410240
MetadataPublished	2023-08-02

Field	Value
Measurement Technique	correlation spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
16335345	PubChem: Thomson Pharma
SCHEMBL440244	SureChEMBL
11250692	PubChem
CB72559002	ChemicalBook
DTXSID00460044	EPA CompTox Dashboard
J951.410D	Nikkaji
TAHGAK	CCDC
ZINC000150363016	ZINC
The data in this table is sourced from UniChem at EBI.