Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C12H6N2S2/c13-7-9(8-14)6-10-3-4-12(16-10)11-2-1-5-15-11/h1-6H
SMILES	N#CC(=Cc1ccc(s1)c1cccs1)C#N
InChI Key	JULWDNGPIOYHSR-UHFFFAOYSA-N
Exact Mass	242.319 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JULWDNGPIOYHSR-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/JULWDNGPIOYHSR-UHFFFAOYSA-N/CHMO0000595
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-12-11
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
2739819	PubChem
675436	eMolecules
SCHEMBL15105974	SureChEMBL
ZINC000000108101	ZINC
J1.669.024D	Nikkaji
LEMRAA	CCDC
MCULE-7648983349	Mcule
The data in this table is sourced from UniChem at EBI.