Dataset

heteronuclear single quantum coherence (HSQC)

Chemical Info

InChI	InChI=1S/C7H4ClN3O2/c8-7(9-10-7)5-1-3-6(4-2-5)11(12)13/h1-4H
SMILES	[O-][N+](=O)c1ccc(cc1)C1(Cl)N=N1
InChI Key	CROBFZCEBLSPFK-UHFFFAOYSA-N
Exact Mass	197.579 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CROBFZCEBLSPFK-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/CROBFZCEBLSPFK-UHFFFAOYSA-N/CHMO0000604
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:44:20.695113
MetadataModified	2024-09-23T09:24:39.430821
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 : Mar01-2024 date : 20240302 starting time : 2.13 h instrument : Avance NEO label : KT-754 id : 296693 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
13598791	PubChem
The data in this table is sourced from UniChem at EBI.