Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KIQBPEXSAZKVRR-UHFFFAOYSA-N/CHMO0000595.2
License URL
Source	https://www.chemotion-repository.net/inchikey/KIQBPEXSAZKVRR-UHFFFAOYSA-N/CHMO0000595.2
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:20:59.192222
MetadataModified	2024-09-23T09:21:59.915764
MetadataPublished	2024-02-14

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Temperature : 300.0 K K Puls programme : zgpg30 Number of scans : 1024 Title : SG-V3998 (1-5) Date : 20231019 Start time : 12.40 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.