Dataset

30h[38]

Chemical Information

InChI	InChI=1S/C8H8F3NO2S/c1-12-15(13,14)7-4-2-6(3-5-7)8(9,10)11/h2-5,12H,1H3
SMILES	CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1
InChI Key	NRKCZBWVAQJOOG-UHFFFAOYSA-N
Exact Mass	239.220 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p105.s1007.d4651
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D4651
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Maintainer
Language	english
MetadataPublished
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['1H'] NMR spectrum by dimensionality : 1 NMR probe : Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP) Temperature : 298.1604 K magnetic field strength : 9.398161044985478 Tesla number of scans : 128 scans nuclear magnetic resonance pulse sequence : zg30 Spectral Width : 30.0366276301356 number of data points : 12 points relaxation time measurement : 0.1 seconds

Data-Source Molecule ID	Data-Source
MCULE-2135087939	Mcule
8468109	PubChem
J3.054.822A	Nikkaji
SCHEMBL2371994	SureChEMBL
CHEMBL4084494	ChEMBL
The data in this table is sourced from UniChem at EBI.