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/C18H12BrNO/c19-13-9-11-14(12-10-13)20-15-5-1-3-7-17(15)21-18-8-4-2-6-16(18)20/h1-12H
SMILES	Brc1ccc(cc1)N1c2ccccc2Oc2c1cccc2
InChI Key	KHHIALZHPCMMMT-UHFFFAOYSA-N
Exact Mass	338.198 g/mol

Data and Resources

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

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Metadata Information

Field	Value
DOI	10.14272/KHHIALZHPCMMMT-UHFFFAOYSA-N/CHMO0001150
License URL
Source	https://www.chemotion-repository.net/inchikey/KHHIALZHPCMMMT-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
CB55441328	ChemicalBook
CB83296765	ChemicalBook
DTXSID20533744	EPA CompTox Dashboard
J3.260.858B	Nikkaji
13272485	PubChem
SCHEMBL15472193	SureChEMBL
The data in this table is sourced from UniChem at EBI.