Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Info

InChI	InChI=1S/C16H12N6.ClH/c17-12-5-3-4-11(8-12)15-10-22(21-20-15)16-9-18-13-6-1-2-7-14(13)19-16;/h1-10H,17H2;1H
SMILES	[NH3+]c1cccc(c1)c1nnn(c1)c1cnc2c(n1)cccc2.[Cl-]
InChI Key	KUVSJEDELBLMHP-UHFFFAOYSA-N
Molecular Formula	C16H13ClN6
Exact Mass	324.768 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KUVSJEDELBLMHP-UHFFFAOYSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/KUVSJEDELBLMHP-UHFFFAOYSA-N/CHMO0001146
Version
Author	Chloé Liagre
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:53:19.627449
MetadataModified	2024-09-07T21:30:06.673855
MetadataPublished	2022-02-11

Field	Value
Measurement Technique	1H–13C heteronuclear single quantum coherence
Measurement Variables

Data-Source Molecule ID	Data-Source
162623364	PubChem
The data in this table is sourced from UniChem at EBI.