Dataset

26eii[22]

Chemical Information

InChI	InChI=1S/C14H21NO4S/c1-5-19-14(16)15(10-11(2)3)20(17,18)13-8-6-12(4)7-9-13/h6-9,11H,5,10H2,1-4H3
SMILES	CCOC(=O)N(CC(C)C)S(=O)(=O)C1=CC=C(C)C=C1
InChI Key	WTWDVBBHANGJOK-UHFFFAOYSA-N

Data and Resources

• 26eii[22]HTML
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• 1h-nuclear-magnetic...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p105.s977.d4591
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D4591
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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 : 298.1595 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
163553172	PubChem
The data in this table is sourced from UniChem at EBI.