Dataset

30b[10]

Chemical Information

InChI	InChI=1S/C8H11NO2S/c1-7-3-5-8(6-4-7)12(10,11)9-2/h3-6,9H,1-2H3
SMILES	CNS(=O)(=O)C1=CC=C(C)C=C1
InChI Key	GWLOGZRVYXAHRE-UHFFFAOYSA-N

Data and Resources

• 30b[10]HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p105.s1044.d4725
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D4725
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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 : 298.1613 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 : 31 points relaxation time measurement : 0.1 seconds

Data-Source Molecule ID	Data-Source
CHEMBL1565275	ChEMBL
CB1313402	ChemicalBook
J124.145A	Nikkaji
ZINC000000300857	ZINC
DTXSID5060938	EPA CompTox Dashboard
GESSOM	CCDC
SCHEMBL30960	SureChEMBL
14940890	PubChem: Thomson Pharma
12543	PubChem
640-61-9	ACToR
482403	eMolecules
MCULE-8931088953	Mcule
20032301	NMRShiftDB
The data in this table is sourced from UniChem at EBI.