1H--1H correlation spectroscopy (1H-1H COSY)

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Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

molecular Image

InChI	InChI=1S/C18H12BrN/c19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-12H
SMILES	Brc1ccc(cc1)n1c2ccccc2c2c1cccc2
InChI Key	XSDKKRKTDZMKCH-UHFFFAOYSA-N
Exact Mass	322.199 g/mol

Data and Resources

1H--1H correlation spectroscopy (1H-1H COSY)HTML

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Metadata Information

Field	Value
DOI	10.14272/XSDKKRKTDZMKCH-UHFFFAOYSA-N/CHMO0001150
License URL
Source	https://www.chemotion-repository.net/inchikey/XSDKKRKTDZMKCH-UHFFFAOYSA-N/CHMO0001150
Version
Author	Laura Holzhauer
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-10-22
Related Molecule

Field	Value
Measurement Technique	CHMO:0001150
Measurement Variables

Data-Source Molecule ID	Data-Source
22361390	PubChem
CHEMBL2425169	ChEMBL
CB01856327	ChemicalBook
J2.394.669F	Nikkaji
ROHXIY	CCDC
DTXSID30625205	EPA CompTox Dashboard
57102-42-8	ACToR
35677934	eMolecules
131483372	PubChem: Thomson Pharma
SCHEMBL262160	SureChEMBL
CB12459465	ChemicalBook
ZINC000045329102	ZINC
The data in this table is sourced from UniChem at EBI.