Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C9H6F3NO2S2/c10-9(11,12)5-17(14,15)8-13-6-3-1-2-4-7(6)16-8/h1-4H,5H2
SMILES	FC(CS(=O)(=O)c1nc2c(s1)cccc2)(F)F
InChI Key	QFJHELHCAJODHK-UHFFFAOYSA-N
Molecular Formula	C9H6F3NO2S2
Exact Mass	281.275 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/QFJHELHCAJODHK-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/QFJHELHCAJODHK-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author	Andreas Hafner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:26:47.750212
MetadataModified	2024-09-07T12:36:31.061026
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
72792712	PubChem
The data in this table is sourced from UniChem at EBI.