Dataset

correlation spectroscopy (COSY)

Chemical Info

InChI	InChI=1S/C10H7Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
SMILES	Brc1cccc2c1cccc2
InChI Key	DLKQHBOKULLWDQ-UHFFFAOYSA-N
Exact Mass	207.067 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DLKQHBOKULLWDQ-UHFFFAOYSA-N/CHMO0000599
License URL
Source	https://www.chemotion-repository.net/inchikey/DLKQHBOKULLWDQ-UHFFFAOYSA-N/CHMO0000599
Version
Author	Fabian Schönle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:26:26.437073
MetadataModified	2024-09-23T09:23:11.551593
MetadataPublished	2024-05-15

Field	Value
Measurement Technique	correlation spectroscopy
Measurement Variables	temperature : 300.0 K PULPROG : cosygpppqf number of scans : 1 scans title : FAS-1-Br-Naphthalin date : 20240426 starting time : 15.34 h instrument : spect label : FAS-16 id : 115907 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
MCULE-2189465084	Mcule
10016004	NMRShiftDB
J32.579A	Nikkaji
ZINC000001693600	ZINC
DECPUZ	CCDC
DTXSID30861681	EPA CompTox Dashboard
7001	PubChem
CB5197277	ChemicalBook
90-11-9	ACToR
475359	eMolecules
976Y53P08P	FDA SRS
14773214	PubChem: Thomson Pharma
27497-51-4	ACToR
SCHEMBL69629	SureChEMBL
The data in this table is sourced from UniChem at EBI.