Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C19H17N3/c1-13(2)18-19-20-12-17(14-8-4-3-5-9-14)22(19)16-11-7-6-10-15(16)21-18/h3-13H,1-2H3
SMILES	CC(c1nc2ccccc2n2c1ncc2c1ccccc1)C
InChI Key	BHEXWVNDDWQKFM-UHFFFAOYSA-N
Molecular Formula	C19H17N3
Exact Mass	287.358 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BHEXWVNDDWQKFM-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/BHEXWVNDDWQKFM-UHFFFAOYSA-N/CHMO0000593
Version
Author	Laura Holzhauer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-03-15T03:12:06.126022
MetadataModified	2025-03-16T03:11:11.765115
MetadataPublished	2025-03-14
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	temperature : 300.0 K PULPROG : zg30 number of scans : 16 scans title : KSS-R21-5-8 date : 20231206 starting time : 7.05 h instrument : spect label : KSS-60 id : 285110 Solvent : chloroform-D1 (CDCl3)

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