Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C13H12O2S/c14-16(15,13-8-12(9-13)10-13)7-6-11-4-2-1-3-5-11/h1-5,12H,8-10H2
SMILES	O=S(=O)(C12CC(C1)C2)C#Cc1ccccc1
InChI Key	FBQUPQDQXGQFOX-UHFFFAOYSA-N
Exact Mass	232.298 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/FBQUPQDQXGQFOX-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/FBQUPQDQXGQFOX-UHFFFAOYSA-N/CHMO0000595
Version
Author	José Carlos Ferreira da Cunha
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2026-01-20
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Date : 2025-05-28 Start time : 08:22:56 UTC Creator : José da Cunha Label : JFC-344 ID : 367180 Solvent : CDCl3 Temperature : 298.1498 K K Puls programme : zgpg30 Number of scans : 5681 Instrument : spect Name : Parameter file, TOPSPIN Version 3.2

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