Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C14H15IN2O2S2/c1-19-13(18)9-12(14-20-7-2-8-21-14)17-16-11-5-3-10(15)4-6-11/h3-6H,2,7-9H2,1H3/b17-16+
SMILES	COC(=O)CC(=C1SCCCS1)/N=N/c1ccc(cc1)I
InChI Key	CLILNMDKASZZFN-WUKNDPDISA-N
Molecular Formula	C14H15IN2O2S2
Exact Mass	434.316 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CLILNMDKASZZFN-WUKNDPDISA-N/NMR/1H/CDCL3/250
License URL
Source	https://www.chemotion-repository.net/inchikey/CLILNMDKASZZFN-WUKNDPDISA-N/NMR/1H/CDCL3/250
Version
Author	Bettina Stanek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:46:11.322639
MetadataModified	2024-09-07T12:16:17.532875
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.