Dataset

26hiii[17]

Chemical Information

InChI	InChI=1S/C15H23NO4S/c1-12(2)11-16(14(17)20-15(3,4)5)21(18,19)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3
SMILES	CC(C)CN(C(=O)OC(C)(C)C)S(=O)(=O)C1=CC=CC=C1
InChI Key	ILVKRAHSTKXYMF-UHFFFAOYSA-N

Data and Resources

• 26hiii[17]HTML
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• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p105.s1012.d4662
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D4662
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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 : 298.1609 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
16218340	PubChem
ZINC000044583845	ZINC
13733150	eMolecules
DTXSID30584888	EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.