Dataset

30n[10]

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[10]HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p105.s1024.d4685
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D4685
Version
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 : 298.1587 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 : 12 points relaxation time measurement : 0.1 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.