Dataset

heteronuclear single quantum coherence (HSQC)

Chemical Info

InChI	InChI=1S/C6H4ClN3/c7-6(9-10-6)5-1-3-8-4-2-5/h1-4H
SMILES	ClC1(N=N1)c1ccncc1
InChI Key	OUJXCGRKTFGYJS-UHFFFAOYSA-N
Exact Mass	153.569 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/OUJXCGRKTFGYJS-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/OUJXCGRKTFGYJS-UHFFFAOYSA-N/CHMO0000604
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:42:17.749036
MetadataModified	2024-09-23T09:24:30.254241
MetadataPublished	2024-05-21
Related Molecule

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	temperature : 298.0 K PULPROG : hsqcedetgpsisp2.3 number of scans : 4 scans title : Jan31-2024 date : 20240201 starting time : 5.18 h instrument : Avance NEO label : KT-689 id : 293399 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
12619858	PubChem
J315.104B	Nikkaji
The data in this table is sourced from UniChem at EBI.