Dataset

30c[28]

Chemical Information

InChI	InChI=1S/C7H8FNO2S/c1-9-12(10,11)7-4-2-6(8)3-5-7/h2-5,9H,1H3
SMILES	CNS(=O)(=O)C1=CC=C(F)C=C1
InChI Key	RDRBNXNITJCMPV-UHFFFAOYSA-N

Data and Resources

• 30c[28]HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p105.s1038.d4713
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D4713
Version
Author
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 : 298.1608 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 : 9 points relaxation time measurement : 0.1 seconds

Data-Source Molecule ID	Data-Source
ZINC000003324558	ZINC
DTXSID00368677	EPA CompTox Dashboard
CB3957026	ChemicalBook
SCHEMBL709242	SureChEMBL
3110763	eMolecules
MCULE-9673944316	Mcule
2440054	PubChem
The data in this table is sourced from UniChem at EBI.