Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C15H18N2O3S2/c1-19-12-6-3-5-11(9-12)16-17-13(10-14(18)20-2)15-21-7-4-8-22-15/h3,5-6,9H,4,7-8,10H2,1-2H3/b17-16+
SMILES	COC(=O)CC(=C1SCCCS1)/N=N/c1cccc(c1)OC
InChI Key	PXDBOSMGQHNFQY-WUKNDPDISA-N
Molecular Formula	C15H18N2O3S2
Exact Mass	338.445 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PXDBOSMGQHNFQY-WUKNDPDISA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/PXDBOSMGQHNFQY-WUKNDPDISA-N/IR
Version
Author	Bettina Stanek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:48:32.274487
MetadataModified	2024-09-07T12:24:35.424642
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

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