Dataset

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

Chemical Information

InChI	InChI=1S/C20H13N/c1-2-15-11-13-16(14-12-15)21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h1,3-14H
SMILES	C#Cc1ccc(cc1)n1c2ccccc2c2c1cccc2
InChI Key	JJIQKIUIIVFHAN-UHFFFAOYSA-N
Exact Mass	267.324 g/mol

Data and Resources

• 1H--1H correlation spectroscopy (1H-1H COSY)HTML
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• chmo0001150

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JJIQKIUIIVFHAN-UHFFFAOYSA-N/CHMO0001150
License URL
Source	https://www.chemotion-repository.net/inchikey/JJIQKIUIIVFHAN-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
21963444	PubChem: Thomson Pharma
36788515	eMolecules
SCHEMBL2434969	SureChEMBL
DTXSID30575635	EPA CompTox Dashboard
JAYSEI	CCDC
J1.778.152I	Nikkaji
ZINC000059229186	ZINC
15606338	PubChem
The data in this table is sourced from UniChem at EBI.