Dataset

19F nuclear magnetic resonance spectroscopy (19F NMR)

Chemical Info

InChI	InChI=1S/C10H9F3O3S/c11-10(12,13)8-16-17(14,15)7-6-9-4-2-1-3-5-9/h1-7H,8H2/b7-6+
SMILES	FC(COS(=O)(=O)/C=C/c1ccccc1)(F)F
InChI Key	WTISUMKEBZKMEP-VOTSOKGWSA-N
Molecular Formula	C10H9F3O3S
Exact Mass	266.237 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WTISUMKEBZKMEP-VOTSOKGWSA-N/CHMO0000597
License URL
Source	https://www.chemotion-repository.net/inchikey/WTISUMKEBZKMEP-VOTSOKGWSA-N/CHMO0000597
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:12:38.348511
MetadataModified	2025-01-29T16:05:51.884432
MetadataPublished	2024-10-15

Field	Value
Measurement Technique	19F nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
J3.224.298G	Nikkaji
72707547	PubChem
The data in this table is sourced from UniChem at EBI.