Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C13H16N2OS/c1-3-16-13-9(2)17-12(15-13)8-10-4-6-11(14)7-5-10/h4-9H,3,14H2,1-2H3/b12-8-
SMILES	CCOC1=N/C(=C/c2ccc(cc2)N)/SC1C
InChI Key	XCRKWENUDQQROP-WQLSENKSSA-N
Molecular Formula	C13H16N2OS
Exact Mass	248.344 g/mol

Data and Resources

• infrared absorption spectroscopy (IR)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XCRKWENUDQQROP-WQLSENKSSA-N/CHMO0000630
License URL
Source	https://www.chemotion-repository.net/inchikey/XCRKWENUDQQROP-WQLSENKSSA-N/CHMO0000630
Version
Author	Eric Täuscher
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:50:41.147026
MetadataModified	2024-09-08T01:50:41.147032
MetadataPublished	2023-11-07

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

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