Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C12H11N4.ClH/c1-16-8-6-10(7-9-16)11-4-2-3-5-12(11)14-15-13;/h2-9H,1H3;1H/q+1;/p-1
SMILES	[N-]=[N+]=Nc1ccccc1c1cc[n+](cc1)C.[Cl-]
InChI Key	RFJCJXBPYRNNBV-UHFFFAOYSA-M
Molecular Formula	C12H11ClN4
Exact Mass	246.696 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/RFJCJXBPYRNNBV-UHFFFAOYSA-M/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/RFJCJXBPYRNNBV-UHFFFAOYSA-M/CHMO0000593
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T00:46:18.422876
MetadataModified	2024-09-08T00:46:18.422881
MetadataPublished	2023-03-10
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
166638643	PubChem
The data in this table is sourced from UniChem at EBI.