Dataset

30l[11]

Chemical Information

InChI	InChI=1S/C10H15NO2S/c1-9(2)8-11-14(12,13)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
SMILES	CC(C)CNS(=O)(=O)C1=CC=CC=C1
InChI Key	XRTYMJYAOZHUHI-UHFFFAOYSA-N
Exact Mass	213.300 g/mol

Data and Resources

• 30l[11]HTML
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• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p105.s1063.d4764
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D4764
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Author
Maintainer
Language	english
MetadataPublished
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['13C'] NMR spectrum by dimensionality : 1 NMR probe : Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP) Temperature : 298.1603 K magnetic field strength : 9.396159066431597 Tesla number of scans : 1024 scans nuclear magnetic resonance pulse sequence : zgpg30 Spectral Width : 248.43766462855 number of data points : 11 points relaxation time measurement : 1 seconds

Data-Source Molecule ID	Data-Source
520070	PubChem
SCHEMBL674105	SureChEMBL
15762911	PubChem: Thomson Pharma
1251273	eMolecules
MCULE-4804350355	Mcule
ZINC000000029391	ZINC
J559.662I	Nikkaji
The data in this table is sourced from UniChem at EBI.