Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C14H19IN2S2/c1-3-13(14-18-7-4-8-19-14)17-16-11-6-5-10(2)12(15)9-11/h5-6,9,14,16H,3-4,7-8H2,1-2H3/b17-13+
SMILES	CC/C(=N\Nc1ccc(c(c1)I)C)/C1SCCCS1
InChI Key	DJXWTAHPCVGVSX-GHRIWEEISA-N
Molecular Formula	C14H19IN2S2
Exact Mass	406.349 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/DJXWTAHPCVGVSX-GHRIWEEISA-N/NMR/13C/CDCL3/100
License URL
Source	https://www.chemotion-repository.net/inchikey/DJXWTAHPCVGVSX-GHRIWEEISA-N/NMR/13C/CDCL3/100
Version
Author	Nicole Jung
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:31:58.420928
MetadataModified	2024-09-07T11:50:26.118519
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
73427243	PubChem
The data in this table is sourced from UniChem at EBI.