Dataset

nuclear magnetic resonance spectroscopy (NMR)

Chemical Info

InChI	InChI=1S/C13H17N5/c1-3-18(10-12-7-5-4-6-8-12)17-16-13-9-11(2)14-15-13/h4-9H,3,10H2,1-2H3,(H,14,15)/b17-16+
SMILES	CCN(Cc1ccccc1)/N=N/c1n[nH]c(c1)C
InChI Key	AFYWJZVKEAQQHO-WUKNDPDISA-N
Exact Mass	228.273 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/AFYWJZVKEAQQHO-WUKNDPDISA-N/CHMO0000591
License URL
Source	https://www.chemotion-repository.net/inchikey/AFYWJZVKEAQQHO-WUKNDPDISA-N/CHMO0000591
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:19:46.249949
MetadataModified	2024-09-23T09:21:57.344013
MetadataPublished	2024-02-14

Field	Value
Measurement Technique	nuclear magnetic resonance spectroscopy
Measurement Variables	Temperature : 300.0 K K Puls programme : zgpg30 Number of scans : 5120 Title : SG-V4050 Date : 20231215 Start time : 21.44 h Instrument : spect Label : SG-3444 ID : 286751 Solvent : chloroform-D1 (CDCl3)

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