Dataset

correlation spectroscopy (COSY)

Chemical Info

InChI	InChI=1S/C15H11N3/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13/h1-11H
SMILES	c1ccc(nc1)c1cccc(n1)c1ccccn1
InChI Key	DRGAZIDRYFYHIJ-UHFFFAOYSA-N
Exact Mass	233.268 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DRGAZIDRYFYHIJ-UHFFFAOYSA-N/CHMO0000599
License URL
Source	https://www.chemotion-repository.net/inchikey/DRGAZIDRYFYHIJ-UHFFFAOYSA-N/CHMO0000599
Version
Author	Elena Foitzik
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:04:36.044151
MetadataModified	2024-09-23T09:22:15.705377
MetadataPublished	2024-02-21

Field	Value
Measurement Technique	correlation spectroscopy
Measurement Variables	temperature : 300.0 K PULPROG : cosygpppqf number of scans : 1 scans title : EF-CCP2565 date : 20240201 starting time : 23.43 h instrument : spect label : CCP-2411 id : 193919 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
CB1407532	ChemicalBook
90780	Brenda
70848	PubChem
PD011766	ProbesDrugs
1148-79-4	ACToR
14798214	PubChem: Thomson Pharma
G5E357ISH5	FDA SRS
MCULE-7869708671	Mcule
20027673	NMRShiftDB
SCHEMBL57442	SureChEMBL
490543	eMolecules
CHEMBL89445	ChEMBL
245199	ChEBI
ZINC000000009065	ZINC
J7.284B	Nikkaji
HMDB0245379	Human Metabolome Database
VURYOW	CCDC
38924	BindingDB
DTXSID2061567	EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.