Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

InChI	InChI=1S/C14H8N2S3/c1-3-11(17-7-1)9-5-6-10(12-4-2-8-18-12)14-13(9)15-19-16-14/h1-8H
SMILES	c1csc(c1)c1ccc(c2c1N=S=N2)c1cccs1
InChI Key	XGERJWSXTKVPSV-UHFFFAOYSA-N
Exact Mass	300.422 g/mol

Data and Resources

• 1H--13C heteronuclear single quantum coherence...HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XGERJWSXTKVPSV-UHFFFAOYSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/XGERJWSXTKVPSV-UHFFFAOYSA-N/CHMO0001146
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-12-11
Related Molecule

Field	Value
Measurement Technique	1H–13C heteronuclear single quantum coherence
Measurement Variables	title : SVS-X28027 date : 20250222 starting time : 14.01 h label : SVS-3045 id : 350319 Solvent : None temperature : 300.1 K PULPROG : hsqcedetgp number of scans : 2 scans instrument : spect

Data-Source Molecule ID	Data-Source
CHEMBL2006064	ChEMBL
SCHEMBL41299	SureChEMBL
17434966	PubChem: Thomson Pharma
396294	PubChem
ZINC000001862801	ZINC
DTXSID60327922	EPA CompTox Dashboard
WULLIA	CCDC
J1.918.420J	Nikkaji
CB22553621	ChemicalBook
The data in this table is sourced from UniChem at EBI.