Dataset

30o[18]

Chemical Information

InChI	InChI=1S/C10H15NO2S/c1-8(2)11-14(12,13)10-6-4-9(3)5-7-10/h4-8,11H,1-3H3
SMILES	CC1=CC=C(S(=O)(=O)NC(C)C)C=C1
InChI Key	NXUHAAIJVABUMJ-UHFFFAOYSA-N

Data and Resources

• 30o[18]HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p105.s1042.d4721
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D4721
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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 : 298.1615 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 : 24 points relaxation time measurement : 0.1 seconds

Data-Source Molecule ID	Data-Source
873233	eMolecules
16300991	PubChem: Thomson Pharma
SCHEMBL6500063	SureChEMBL
DTXSID60402001	EPA CompTox Dashboard
ZINC000002772487	ZINC
4329528	PubChem
J559.661K	Nikkaji
MCULE-8048924343	Mcule
The data in this table is sourced from UniChem at EBI.