Dataset

correlation spectroscopy (COSY)

Chemical Info

InChI	InChI=1S/C11H8N6/c1-8-6-11(14-16-13)15-17(8)10-4-2-9(7-12)3-5-10/h2-6H,1H3
SMILES	[N-]=[N+]=Nc1nn(c(c1)C)c1ccc(cc1)C#N
InChI Key	KIQBPEXSAZKVRR-UHFFFAOYSA-N
Exact Mass	224.221 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KIQBPEXSAZKVRR-UHFFFAOYSA-N/CHMO0000599
License URL
Source	https://www.chemotion-repository.net/inchikey/KIQBPEXSAZKVRR-UHFFFAOYSA-N/CHMO0000599
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:20:43.174094
MetadataModified	2024-09-23T09:21:59.372804
MetadataPublished	2024-02-14

Field	Value
Measurement Technique	correlation spectroscopy
Measurement Variables	temperature : 300.0 K PULPROG : cosygpppqf number of scans : 1 scans title : SG-V3998 (1-5) date : 20231019 starting time : 14.16 h instrument : spect label : SG-3377 id : 279758 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.