Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XGERJWSXTKVPSV-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/XGERJWSXTKVPSV-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	Title : SVS-X28207 Date : 20250222 Start time : 10.41 h Label : SVS-3045 ID : 350319 Solvent : chloroform-D1 (CDCl3) Temperature : 300.0 K K Puls programme : zgpg30 Number of scans : 1024 Instrument : spect

Data-Source Molecule ID	Data-Source
CHEMBL2006064	chembl
41299	surechembl
396294	pubchem
PD220496	probes_and_drugs
WULLIA	CCDC
Molport-027-837-252	molport
The data in this table is sourced from UniChem at EBI.