Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C9H5ClF3NS2/c10-7(9(11,12)13)16-8-14-5-3-1-2-4-6(5)15-8/h1-4,7H
SMILES	ClC(C(F)(F)F)Sc1nc2c(s1)cccc2
InChI Key	VKLSNBPDAYGHSL-UHFFFAOYSA-N
Molecular Formula	C9H5ClF3NS2
Exact Mass	283.721 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/VKLSNBPDAYGHSL-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/VKLSNBPDAYGHSL-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author	Andreas Hafner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:31:32.801799
MetadataModified	2024-09-07T12:43:43.294815
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
73427431	PubChem
The data in this table is sourced from UniChem at EBI.