Dataset

heteronuclear single quantum coherence (HSQC)

Chemical Info

InChI	InChI=1S/C7H4BrClN2/c8-6-3-1-2-5(4-6)7(9)10-11-7/h1-4H
SMILES	Brc1cccc(c1)C1(Cl)N=N1
InChI Key	BBNJBCHEPCEFRH-UHFFFAOYSA-N
Exact Mass	231.477 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BBNJBCHEPCEFRH-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/BBNJBCHEPCEFRH-UHFFFAOYSA-N/CHMO0000604
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:41:00.547020
MetadataModified	2024-09-23T09:24:24.821789
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 : Feb22-2024 date : 20240223 starting time : 0.48 h instrument : Avance NEO label : KT-749 id : 296533 Solvent : CD3CN

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