Dataset

30v[81]

Chemical Information

InChI	InChI=1S/C13H21NO2S/c1-10(2)14-17(15,16)12-8-6-11(7-9-12)13(3,4)5/h6-10,14H,1-5H3
SMILES	CC(C)NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1
InChI Key	ZPMCVZUPBMTCLE-UHFFFAOYSA-N

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p105.s1064.d4766
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D4766
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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 : 298.1618 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 : 10 points relaxation time measurement : 1 seconds

Data-Source Molecule ID	Data-Source
5331011	eMolecules
961433	PubChem
SCHEMBL8277085	SureChEMBL
ZINC000000571059	ZINC
MCULE-2874663616	Mcule
The data in this table is sourced from UniChem at EBI.