Dataset

heteronuclear single quantum coherence (HSQC)

Chemical Info

InChI	InChI=1S/C7H4BrClN2/c8-6-3-1-5(2-4-6)7(9)10-11-7/h1-4H
SMILES	ClC1(N=N1)c1ccc(cc1)Br
InChI Key	RULCXVAUZIXNGP-UHFFFAOYSA-N
Exact Mass	231.477 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/RULCXVAUZIXNGP-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/RULCXVAUZIXNGP-UHFFFAOYSA-N/CHMO0000604
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:42:51.454163
MetadataModified	2024-09-23T09:24:33.929669
MetadataPublished	2024-05-21

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	temperature : 298.0 K PULPROG : hsqcedetgpsisp2.3 number of scans : 4 scans title : Feb02-2024 date : 20240204 starting time : 3.15 h instrument : Avance NEO label : KT-697 id : 293781 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
21723954	PubChem
The data in this table is sourced from UniChem at EBI.