Dataset

30i[40]

Chemical Information

InChI	InChI=1S/C11H17NO2S/c1-11(2,3)9-5-7-10(8-6-9)15(13,14)12-4/h5-8,12H,1-4H3
SMILES	CNS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1
InChI Key	CJNLKKFVCHKZIB-UHFFFAOYSA-N

Data and Resources

• 30i[40]HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p105.s1058.d4753
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D4753
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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 : 298.1614 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
ZINC000000380183	ZINC
J1.680.676E	Nikkaji
1370267	eMolecules
CHEMBL1328155	ChEMBL
SCHEMBL8483992	SureChEMBL
846957	PubChem
MCULE-6449897830	Mcule
The data in this table is sourced from UniChem at EBI.