Dataset

30n[11]

Chemical Information

InChI	InChI=1S/C9H13NO2S/c1-8(2)10-13(11,12)9-6-4-3-5-7-9/h3-8,10H,1-2H3
SMILES	CC(C)NS(=O)(=O)C1=CC=CC=C1
InChI Key	QKIWHADSHFVRFN-UHFFFAOYSA-N
Exact Mass	199.270 g/mol

Data and Resources

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

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p105.s1024.d4686
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D4686
Version
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 : 298.1597 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
945862	surechembl
220600	pubchem
DTXSID20277691	comptox
Molport-004-854-324	molport
The data in this table is sourced from UniChem at EBI.