Dataset

heteronuclear single quantum coherence (HSQC)

Chemical Info

InChI	InChI=1S/C8H7ClN2/c1-6-2-4-7(5-3-6)8(9)10-11-8/h2-5H,1H3
SMILES	ClC1(N=N1)c1ccc(cc1)C
InChI Key	JQJKGIDVIWRSIT-UHFFFAOYSA-N
Exact Mass	166.608 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JQJKGIDVIWRSIT-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/JQJKGIDVIWRSIT-UHFFFAOYSA-N/CHMO0000604
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:39:06.414694
MetadataModified	2024-09-23T09:24:15.123348
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 : Feb14-2024 date : 20240215 starting time : 5.03 h instrument : Avance NEO label : KT-718 id : 295149 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
11008291	PubChem
J574.210B	Nikkaji
DTXSID80451637	EPA CompTox Dashboard
16069094	PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.